N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide

C177H216N24O22 — CID 160987399

IUPACN-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide
SMILESC=CCOc1cc(NC(C)=O)ccc1C(C)=O.C=CCc1c(NC(C)=O)ccc2c(C)noc12.CC(=O)Nc1ccc(C(C)=O)c(O)c1.CC=Cc1c(NC(C)=O)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCN(C(=O)OC(C)(C)C)CC4)noc3c2C=CC)cc1.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCN(CC5OCCO5)CC4)noc3c2C=CC)cc1.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCN(CC5OCCO5)CC4)noc3c2CN(C)C)cc1.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCNCC4)noc3c2C=CC)cc1
InChIInChI=1S/C31H38N4O3.C30H39N5O3.C30H36N4O3.C26H30N4O.C24H33N3O4.C13H14N2O2.C13H15NO3.C10H11NO3/c1-7-8-26-28(34(6)21-23-9-12-24(32-5)13-10-23)16-14-25-27(33-38-29(25)26)15-11-22-17-19-35(20-18-22)30(36)37-31(2,3)4;1-31-24-8-5-23(6-9-24)19-34(4)28-12-10-25-27(32-38-30(25)26(28)20-33(2)3)11-7-22-13-15-35(16-14-22)21-29-36-17-18-37-29;1-4-5-26-28(33(3)20-23-6-9-24(31-2)10-7-23)13-11-25-27(32-37-30(25)26)12-8-22-14-16-34(17-15-22)21-29-35-18-19-36-29;1-4-5-23-25(30(3)18-20-6-9-21(27-2)10-7-20)13-11-22-24(29-31-26(22)23)12-8-19-14-16-28-17-15-19;1-6-7-18-20(25-16(2)28)11-9-19-21(26-31-22(18)19)10-8-17-12-14-27(15-13-17)23(29)30-24(3,4)5;1-4-5-11-12(14-9(3)16)7-6-10-8(2)15-17-13(10)11;1-4-7-17-13-8-11(14-10(3)16)5-6-12(13)9(2)15;1-6(12)9-4-3-8(5-10(9)14)11-7(2)13/h7-10,12-14,16,22H,11,15,17-21H2,1-4,6H3;5-6,8-10,12,22,29H,7,11,13-21H2,2-4H3;4-7,9-11,13,22,29H,8,12,14-21H2,1,3H3;4-7,9-11,13,19,28H,8,12,14-18H2,1,3H3;6-7,9,11,17H,8,10,12-15H2,1-5H3,(H,25,28);4,6-7H,1,5H2,2-3H3,(H,14,16);4-6,8H,1,7H2,2-3H3,(H,14,16);3-5,14H,1-2H3,(H,11,13)
InChIKeyTUDSZZPAMATETM-UHFFFAOYSA-N
MW3031.82 g/mol
LogP36.96
Rot. Bonds48

About N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide

N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide (PubChem CID 160987399) has the molecular formula C177H216N24O22 and a molecular weight of 3031.82 g/mol. Its IUPAC name is N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide
PubChem CID160987399
Molecular FormulaC177H216N24O22
Molecular Weight3031.82 g/mol
Exact Mass3029.65
IUPAC NameN-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide
SMILESC=CCOc1cc(NC(C)=O)ccc1C(C)=O.C=CCc1c(NC(C)=O)ccc2c(C)noc12.CC(=O)Nc1ccc(C(C)=O)c(O)c1.CC=Cc1c(NC(C)=O)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCN(C(=O)OC(C)(C)C)CC4)noc3c2C=CC)cc1.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCN(CC5OCCO5)CC4)noc3c2C=CC)cc1.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCN(CC5OCCO5)CC4)noc3c2CN(C)C)cc1.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCNCC4)noc3c2C=CC)cc1
InChIInChI=1S/C31H38N4O3.C30H39N5O3.C30H36N4O3.C26H30N4O.C24H33N3O4.C13H14N2O2.C13H15NO3.C10H11NO3/c1-7-8-26-28(34(6)21-23-9-12-24(32-5)13-10-23)16-14-25-27(33-38-29(25)26)15-11-22-17-19-35(20-18-22)30(36)37-31(2,3)4;1-31-24-8-5-23(6-9-24)19-34(4)28-12-10-25-27(32-38-30(25)26(28)20-33(2)3)11-7-22-13-15-35(16-14-22)21-29-36-17-18-37-29;1-4-5-26-28(33(3)20-23-6-9-24(31-2)10-7-23)13-11-25-27(32-37-30(25)26)12-8-22-14-16-34(17-15-22)21-29-35-18-19-36-29;1-4-5-23-25(30(3)18-20-6-9-21(27-2)10-7-20)13-11-22-24(29-31-26(22)23)12-8-19-14-16-28-17-15-19;1-6-7-18-20(25-16(2)28)11-9-19-21(26-31-22(18)19)10-8-17-12-14-27(15-13-17)23(29)30-24(3,4)5;1-4-5-11-12(14-9(3)16)7-6-10-8(2)15-17-13(10)11;1-4-7-17-13-8-11(14-10(3)16)5-6-12(13)9(2)15;1-6(12)9-4-3-8(5-10(9)14)11-7(2)13/h7-10,12-14,16,22H,11,15,17-21H2,1-4,6H3;5-6,8-10,12,22,29H,7,11,13-21H2,2-4H3;4-7,9-11,13,22,29H,8,12,14-21H2,1,3H3;4-7,9-11,13,19,28H,8,12,14-18H2,1,3H3;6-7,9,11,17H,8,10,12-15H2,1-5H3,(H,25,28);4,6-7H,1,5H2,2-3H3,(H,14,16);4-6,8H,1,7H2,2-3H3,(H,14,16);3-5,14H,1-2H3,(H,11,13)
InChIKeyTUDSZZPAMATETM-UHFFFAOYSA-N
XLogP36.96
TPSA484.33 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds48
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003031.82
LogP ≤ 536.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide?
The IUPAC name of N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide (CID 160987399) is N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide?
The canonical SMILES for N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide is C=CCOc1cc(NC(C)=O)ccc1C(C)=O.C=CCc1c(NC(C)=O)ccc2c(C)noc12.CC(=O)Nc1ccc(C(C)=O)c(O)c1.CC=Cc1c(NC(C)=O)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCN(C(=O)OC(C)(C)C)CC4)noc3c2C=CC)cc1.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCN(CC5OCCO5)CC4)noc3c2C=CC)cc1.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCN(CC5OCCO5)CC4)noc3c2CN(C)C)cc1.[C-]#[N+]c1ccc(CN(C)c2ccc3c(CCC4CCNCC4)noc3c2C=CC)cc1.
What is the InChIKey of N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide?
The InChIKey is TUDSZZPAMATETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O3.C30H39N5O3.C30H36N4O3.C26H30N4O.C24H33N3O4.C13H14N2O2.C13H15NO3.C10H11NO3/c1-7-8-26-28(34(6)21-23-9-12-24(32-5)13-10-23)16-14-25-27(33-38-29(25)26)15-11-22-17-19-35(20-18-22)30(36)37-31(2,3)4;1-31-24-8-5-23(6-9-24)19-34(4)28-12-10-25-27(32-38-30(25)26(28)20-33(2)3)11-7-22-13-15-35(16-14-22)21-29-36-17-18-37-29;1-4-5-26-28(33(3)20-23-6-9-24(31-2)10-7-23)13-11-25-27(32-37-30(25)26)12-8-22-14-16-34(17-15-22)21-29-35-18-19-36-29;1-4-5-23-25(30(3)18-20-6-9-21(27-2)10-7-20)13-11-22-24(29-31-26(22)23)12-8-19-14-16-28-17-15-19;1-6-7-18-20(25-16(2)28)11-9-19-21(26-31-22(18)19)10-8-17-12-14-27(15-13-17)23(29)30-24(3,4)5;1-4-5-11-12(14-9(3)16)7-6-10-8(2)15-17-13(10)11;1-4-7-17-13-8-11(14-10(3)16)5-6-12(13)9(2)15;1-6(12)9-4-3-8(5-10(9)14)11-7(2)13/h7-10,12-14,16,22H,11,15,17-21H2,1-4,6H3;5-6,8-10,12,22,29H,7,11,13-21H2,2-4H3;4-7,9-11,13,22,29H,8,12,14-21H2,1,3H3;4-7,9-11,13,19,28H,8,12,14-18H2,1,3H3;6-7,9,11,17H,8,10,12-15H2,1-5H3,(H,25,28);4,6-7H,1,5H2,2-3H3,(H,14,16);4-6,8H,1,7H2,2-3H3,(H,14,16);3-5,14H,1-2H3,(H,11,13).
What are the key properties of N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide?
N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide has a molecular weight of 3031.82 g/mol, XLogP of 36.96, 48 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-hydroxyphenyl)acetamide;N-(4-acetyl-3-prop-2-enoxyphenyl)acetamide;tert-butyl 4-[2-(6-acetamido-7-prop-1-enyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[6-[(4-isocyanophenyl)methyl-methylamino]-7-prop-1-enyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;7-[(dimethylamino)methyl]-3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-1,2-benzoxazol-6-amine;3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-N-[(4-isocyanophenyl)methyl]-N-methyl-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-[(4-isocyanophenyl)methyl]-N-methyl-3-(2-piperidin-4-ylethyl)-7-prop-1-enyl-1,2-benzoxazol-6-amine;N-(3-methyl-7-prop-2-enyl-1,2-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 160987399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).