acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate

C143H218N14O24 — CID 159183986

IUPACacetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate
SMILESC.CC1CCC(=O)CC1.CC=O.CCN(c1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1.CCN(c1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(NC)CC1.CCN(c1cccc(C(=O)OC)c1C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1.CCN(c1cccc(C(=O)OC)c1C)C1CCC(NC(=O)OC(C)(C)C)CC1.COC(=O)c1cccc(CC2CCC(NC(=O)OC(C)(C)C)CC2)c1C.COC(=O)c1cccc(N)c1C.COCC=O
InChIInChI=1S/C30H44N4O4.C25H36N4O2.C23H36N2O4.C22H34N2O4.C21H31NO4.C9H11NO2.C7H12O.C3H6O2.C2H4O.CH4/c1-9-34(23-15-13-22(14-16-23)33(8)29(37)38-30(5,6)7)26-12-10-11-24(21(26)4)27(35)31-18-25-19(2)17-20(3)32-28(25)36;1-6-29(20-12-10-19(26-5)11-13-20)23-9-7-8-21(18(23)4)24(30)27-15-22-16(2)14-17(3)28-25(22)31;1-8-25(20-11-9-10-19(16(20)2)21(26)28-7)18-14-12-17(13-15-18)24(6)22(27)29-23(3,4)5;1-7-24(19-10-8-9-18(15(19)2)20(25)27-6)17-13-11-16(12-14-17)23-21(26)28-22(3,4)5;1-14-16(7-6-8-18(14)19(23)25-5)13-15-9-11-17(12-10-15)22-20(24)26-21(2,3)4;1-6-7(9(11)12-2)4-3-5-8(6)10;1-6-2-4-7(8)5-3-6;1-5-3-2-4;1-2-3;/h10-12,17,22-23H,9,13-16,18H2,1-8H3,(H,31,35)(H,32,36);7-9,14,19-20,26H,6,10-13,15H2,1-5H3,(H,27,30)(H,28,31);9-11,17-18H,8,12-15H2,1-7H3;8-10,16-17H,7,11-14H2,1-6H3,(H,23,26);6-8,15,17H,9-13H2,1-5H3,(H,22,24);3-5H,10H2,1-2H3;6H,2-5H2,1H3;2H,3H2,1H3;2H,1H3;1H4
InChIKeyKNGCVASFXZOMMQ-UHFFFAOYSA-N
MW2517.39 g/mol
LogP26.26
Rot. Bonds31

About acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate

acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate (PubChem CID 159183986) has the molecular formula C143H218N14O24 and a molecular weight of 2517.39 g/mol. Its IUPAC name is acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate.

Molecular Properties

Compound Nameacetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate
PubChem CID159183986
Molecular FormulaC143H218N14O24
Molecular Weight2517.39 g/mol
Exact Mass2515.63
IUPAC Nameacetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate
SMILESC.CC1CCC(=O)CC1.CC=O.CCN(c1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1.CCN(c1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(NC)CC1.CCN(c1cccc(C(=O)OC)c1C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1.CCN(c1cccc(C(=O)OC)c1C)C1CCC(NC(=O)OC(C)(C)C)CC1.COC(=O)c1cccc(CC2CCC(NC(=O)OC(C)(C)C)CC2)c1C.COC(=O)c1cccc(N)c1C.COCC=O
InChIInChI=1S/C30H44N4O4.C25H36N4O2.C23H36N2O4.C22H34N2O4.C21H31NO4.C9H11NO2.C7H12O.C3H6O2.C2H4O.CH4/c1-9-34(23-15-13-22(14-16-23)33(8)29(37)38-30(5,6)7)26-12-10-11-24(21(26)4)27(35)31-18-25-19(2)17-20(3)32-28(25)36;1-6-29(20-12-10-19(26-5)11-13-20)23-9-7-8-21(18(23)4)24(30)27-15-22-16(2)14-17(3)28-25(22)31;1-8-25(20-11-9-10-19(16(20)2)21(26)28-7)18-14-12-17(13-15-18)24(6)22(27)29-23(3,4)5;1-7-24(19-10-8-9-18(15(19)2)20(25)27-6)17-13-11-16(12-14-17)23-21(26)28-22(3,4)5;1-14-16(7-6-8-18(14)19(23)25-5)13-15-9-11-17(12-10-15)22-20(24)26-21(2,3)4;1-6-7(9(11)12-2)4-3-5-8(6)10;1-6-2-4-7(8)5-3-6;1-5-3-2-4;1-2-3;/h10-12,17,22-23H,9,13-16,18H2,1-8H3,(H,31,35)(H,32,36);7-9,14,19-20,26H,6,10-13,15H2,1-5H3,(H,27,30)(H,28,31);9-11,17-18H,8,12-15H2,1-7H3;8-10,16-17H,7,11-14H2,1-6H3,(H,23,26);6-8,15,17H,9-13H2,1-5H3,(H,22,24);3-5H,10H2,1-2H3;6H,2-5H2,1H3;2H,3H2,1H3;2H,1H3;1H4
InChIKeyKNGCVASFXZOMMQ-UHFFFAOYSA-N
XLogP26.26
TPSA476.31 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002517.39
LogP ≤ 526.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(5-hydroxy-5-methylcyclooctyl)amino]-2-methylbenzamide
CID 121381000
CID 164974180
CID 164974180
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-methylpyrimidin-5-yl)benzamide
CID 70872436
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]benzamide
CID 163565417
tert-butyl-[4-[5-chloro-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]carbamic acid
CID 90150990
5-bromo-3-[[4-[(dimethylamino)methyl]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 163576834
methyl 5-bromo-2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate
CID 161298109
methyl 5-[3-(dimethylamino)prop-1-ynyl]-3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate
CID 90150848
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151552
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(4-propan-2-ylcyclohexyl)amino]-2-methyl-5-(trifluoromethyl)benzamide
CID 137382159
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(4-ethylphenyl)-2-methylbenzamide
CID 70904687

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate?
The IUPAC name of acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate (CID 159183986) is acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate.
What is the SMILES notation for acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate?
The canonical SMILES for acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate is C.CC1CCC(=O)CC1.CC=O.CCN(c1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1.CCN(c1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(NC)CC1.CCN(c1cccc(C(=O)OC)c1C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1.CCN(c1cccc(C(=O)OC)c1C)C1CCC(NC(=O)OC(C)(C)C)CC1.COC(=O)c1cccc(CC2CCC(NC(=O)OC(C)(C)C)CC2)c1C.COC(=O)c1cccc(N)c1C.COCC=O.
What is the InChIKey of acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate?
The InChIKey is KNGCVASFXZOMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O4.C25H36N4O2.C23H36N2O4.C22H34N2O4.C21H31NO4.C9H11NO2.C7H12O.C3H6O2.C2H4O.CH4/c1-9-34(23-15-13-22(14-16-23)33(8)29(37)38-30(5,6)7)26-12-10-11-24(21(26)4)27(35)31-18-25-19(2)17-20(3)32-28(25)36;1-6-29(20-12-10-19(26-5)11-13-20)23-9-7-8-21(18(23)4)24(30)27-15-22-16(2)14-17(3)28-25(22)31;1-8-25(20-11-9-10-19(16(20)2)21(26)28-7)18-14-12-17(13-15-18)24(6)22(27)29-23(3,4)5;1-7-24(19-10-8-9-18(15(19)2)20(25)27-6)17-13-11-16(12-14-17)23-21(26)28-22(3,4)5;1-14-16(7-6-8-18(14)19(23)25-5)13-15-9-11-17(12-10-15)22-20(24)26-21(2,3)4;1-6-7(9(11)12-2)4-3-5-8(6)10;1-6-2-4-7(8)5-3-6;1-5-3-2-4;1-2-3;/h10-12,17,22-23H,9,13-16,18H2,1-8H3,(H,31,35)(H,32,36);7-9,14,19-20,26H,6,10-13,15H2,1-5H3,(H,27,30)(H,28,31);9-11,17-18H,8,12-15H2,1-7H3;8-10,16-17H,7,11-14H2,1-6H3,(H,23,26);6-8,15,17H,9-13H2,1-5H3,(H,22,24);3-5H,10H2,1-2H3;6H,2-5H2,1H3;2H,3H2,1H3;2H,1H3;1H4.
What are the key properties of acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate?
acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate has a molecular weight of 2517.39 g/mol, XLogP of 26.26, 31 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;tert-butyl N-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]-N-methylcarbamate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methylbenzamide;methane;2-methoxyacetaldehyde;methyl 3-amino-2-methylbenzoate;4-methylcyclohexan-1-one;methyl 3-[ethyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-2-methylbenzoate;methyl 3-[ethyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-methylbenzoate;methyl 2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate is sourced from PubChem (CID 159183986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).