(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide

C157H219F4N31O27 — CID 158907960

IUPAC(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide
SMILESC=C(NC)c1ccc(/C=C/C(=O)NC/C=C/C)cc1.CC(=O)CCCNC(=O)NCC(=O)N(C)C.CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)C)cn1.CCCCCNC(=O)NCC(=O)N(C)C.CCNC(=O)NCC(=O)N(C)C.CN(C)C(=O)CNC(=O)/C=C/c1ccc(C(C)(F)F)cc1.CN(C)C(=O)CNC(=O)/C=C/c1ccc(C(C)(F)F)cc1.CN(C)C(=O)CNC(=O)/C=C/c1ccccc1.CN(C)C(=O)Cc1ccc(C(=O)C(C)(C)C)n1C.CN(C)C(=O)Cc1ccc(C(=O)c2ccccc2)n1C.CNC(=O)CNC(=O)/C=C/c1ccc(NC(C)=O)nc1.COc1cccc(/C=C/C(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C16H18N2O2.C16H20N2O.2C15H18F2N2O2.C14H18N4O3.C14H18N2O3.C14H22N2O2.C13H16N4O3.C13H16N2O2.C10H19N3O3.C10H21N3O2.C7H15N3O2/c1-17(2)15(19)11-13-9-10-14(18(13)3)16(20)12-7-5-4-6-8-12;1-4-5-12-18-16(19)11-8-14-6-9-15(10-7-14)13(2)17-3;2*1-15(16,17)12-7-4-11(5-8-12)6-9-13(20)18-10-14(21)19(2)3;1-10(19)17-12-6-4-11(8-15-12)5-7-13(20)16-9-14(21)18(2)3;1-16(2)14(18)10-15-13(17)8-7-11-5-4-6-12(9-11)19-3;1-14(2,3)13(18)11-8-7-10(16(11)6)9-12(17)15(4)5;1-9(18)17-11-5-3-10(7-15-11)4-6-12(19)16-8-13(20)14-2;1-15(2)13(17)10-14-12(16)9-8-11-6-4-3-5-7-11;1-8(14)5-4-6-11-10(16)12-7-9(15)13(2)3;1-4-5-6-7-11-10(15)12-8-9(14)13(2)3;1-4-8-7(12)9-5-6(11)10(2)3/h4-10H,11H2,1-3H3;4-11,17H,2,12H2,1,3H3,(H,18,19);2*4-9H,10H2,1-3H3,(H,18,20);4-8H,9H2,1-3H3,(H,16,20)(H,15,17,19);4-9H,10H2,1-3H3,(H,15,17);7-8H,9H2,1-6H3;3-7H,8H2,1-2H3,(H,14,20)(H,16,19)(H,15,17,18);3-9H,10H2,1-2H3,(H,14,16);4-7H2,1-3H3,(H2,11,12,16);4-8H2,1-3H3,(H2,11,12,15);4-5H2,1-3H3,(H2,8,9,12)/b;5-4+,11-8+;2*9-6+;7-5+;8-7+;;6-4+;9-8+;;;
InChIKeyJGHAFXRWLZTCLT-RKSMBAJQSA-N
MW3048.66 g/mol
LogP12.08
Rot. Bonds57

About (E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide

(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide (PubChem CID 158907960) has the molecular formula C157H219F4N31O27 and a molecular weight of 3048.66 g/mol. Its IUPAC name is (E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide
PubChem CID158907960
Molecular FormulaC157H219F4N31O27
Molecular Weight3048.66 g/mol
Exact Mass3046.67
IUPAC Name(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide
SMILESC=C(NC)c1ccc(/C=C/C(=O)NC/C=C/C)cc1.CC(=O)CCCNC(=O)NCC(=O)N(C)C.CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)C)cn1.CCCCCNC(=O)NCC(=O)N(C)C.CCNC(=O)NCC(=O)N(C)C.CN(C)C(=O)CNC(=O)/C=C/c1ccc(C(C)(F)F)cc1.CN(C)C(=O)CNC(=O)/C=C/c1ccc(C(C)(F)F)cc1.CN(C)C(=O)CNC(=O)/C=C/c1ccccc1.CN(C)C(=O)Cc1ccc(C(=O)C(C)(C)C)n1C.CN(C)C(=O)Cc1ccc(C(=O)c2ccccc2)n1C.CNC(=O)CNC(=O)/C=C/c1ccc(NC(C)=O)nc1.COc1cccc(/C=C/C(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C16H18N2O2.C16H20N2O.2C15H18F2N2O2.C14H18N4O3.C14H18N2O3.C14H22N2O2.C13H16N4O3.C13H16N2O2.C10H19N3O3.C10H21N3O2.C7H15N3O2/c1-17(2)15(19)11-13-9-10-14(18(13)3)16(20)12-7-5-4-6-8-12;1-4-5-12-18-16(19)11-8-14-6-9-15(10-7-14)13(2)17-3;2*1-15(16,17)12-7-4-11(5-8-12)6-9-13(20)18-10-14(21)19(2)3;1-10(19)17-12-6-4-11(8-15-12)5-7-13(20)16-9-14(21)18(2)3;1-16(2)14(18)10-15-13(17)8-7-11-5-4-6-12(9-11)19-3;1-14(2,3)13(18)11-8-7-10(16(11)6)9-12(17)15(4)5;1-9(18)17-11-5-3-10(7-15-11)4-6-12(19)16-8-13(20)14-2;1-15(2)13(17)10-14-12(16)9-8-11-6-4-3-5-7-11;1-8(14)5-4-6-11-10(16)12-7-9(15)13(2)3;1-4-5-6-7-11-10(15)12-8-9(14)13(2)3;1-4-8-7(12)9-5-6(11)10(2)3/h4-10H,11H2,1-3H3;4-11,17H,2,12H2,1,3H3,(H,18,19);2*4-9H,10H2,1-3H3,(H,18,20);4-8H,9H2,1-3H3,(H,16,20)(H,15,17,19);4-9H,10H2,1-3H3,(H,15,17);7-8H,9H2,1-6H3;3-7H,8H2,1-2H3,(H,14,20)(H,16,19)(H,15,17,18);3-9H,10H2,1-2H3,(H,14,16);4-7H2,1-3H3,(H2,11,12,16);4-8H2,1-3H3,(H2,11,12,15);4-5H2,1-3H3,(H2,8,9,12)/b;5-4+,11-8+;2*9-6+;7-5+;8-7+;;6-4+;9-8+;;;
InChIKeyJGHAFXRWLZTCLT-RKSMBAJQSA-N
XLogP12.08
TPSA725.60 Ų
H-Bond Donors17
H-Bond Acceptors32
Rotatable Bonds57
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003048.66
LogP ≤ 512.08
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide?
The IUPAC name of (E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide (CID 158907960) is (E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide.
What is the SMILES notation for (E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide?
The canonical SMILES for (E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide is C=C(NC)c1ccc(/C=C/C(=O)NC/C=C/C)cc1.CC(=O)CCCNC(=O)NCC(=O)N(C)C.CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)C)cn1.CCCCCNC(=O)NCC(=O)N(C)C.CCNC(=O)NCC(=O)N(C)C.CN(C)C(=O)CNC(=O)/C=C/c1ccc(C(C)(F)F)cc1.CN(C)C(=O)CNC(=O)/C=C/c1ccc(C(C)(F)F)cc1.CN(C)C(=O)CNC(=O)/C=C/c1ccccc1.CN(C)C(=O)Cc1ccc(C(=O)C(C)(C)C)n1C.CN(C)C(=O)Cc1ccc(C(=O)c2ccccc2)n1C.CNC(=O)CNC(=O)/C=C/c1ccc(NC(C)=O)nc1.COc1cccc(/C=C/C(=O)NCC(=O)N(C)C)c1.
What is the InChIKey of (E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide?
The InChIKey is JGHAFXRWLZTCLT-RKSMBAJQSA-N. The full InChI is InChI=1S/C16H18N2O2.C16H20N2O.2C15H18F2N2O2.C14H18N4O3.C14H18N2O3.C14H22N2O2.C13H16N4O3.C13H16N2O2.C10H19N3O3.C10H21N3O2.C7H15N3O2/c1-17(2)15(19)11-13-9-10-14(18(13)3)16(20)12-7-5-4-6-8-12;1-4-5-12-18-16(19)11-8-14-6-9-15(10-7-14)13(2)17-3;2*1-15(16,17)12-7-4-11(5-8-12)6-9-13(20)18-10-14(21)19(2)3;1-10(19)17-12-6-4-11(8-15-12)5-7-13(20)16-9-14(21)18(2)3;1-16(2)14(18)10-15-13(17)8-7-11-5-4-6-12(9-11)19-3;1-14(2,3)13(18)11-8-7-10(16(11)6)9-12(17)15(4)5;1-9(18)17-11-5-3-10(7-15-11)4-6-12(19)16-8-13(20)14-2;1-15(2)13(17)10-14-12(16)9-8-11-6-4-3-5-7-11;1-8(14)5-4-6-11-10(16)12-7-9(15)13(2)3;1-4-5-6-7-11-10(15)12-8-9(14)13(2)3;1-4-8-7(12)9-5-6(11)10(2)3/h4-10H,11H2,1-3H3;4-11,17H,2,12H2,1,3H3,(H,18,19);2*4-9H,10H2,1-3H3,(H,18,20);4-8H,9H2,1-3H3,(H,16,20)(H,15,17,19);4-9H,10H2,1-3H3,(H,15,17);7-8H,9H2,1-6H3;3-7H,8H2,1-2H3,(H,14,20)(H,16,19)(H,15,17,18);3-9H,10H2,1-2H3,(H,14,16);4-7H2,1-3H3,(H2,11,12,16);4-8H2,1-3H3,(H2,11,12,15);4-5H2,1-3H3,(H2,8,9,12)/b;5-4+,11-8+;2*9-6+;7-5+;8-7+;;6-4+;9-8+;;;.
What are the key properties of (E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide?
(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide has a molecular weight of 3048.66 g/mol, XLogP of 12.08, 57 rotatable bonds, 17 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-acetamido-3-pyridinyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide;(E)-3-(6-acetamido-3-pyridinyl)-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide;2-(5-benzoyl-1-methylpyrrol-2-yl)-N,N-dimethylacetamide;(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide;bis((E)-3-[4-(1,1-difluoroethyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide);(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide;(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-phenylprop-2-enamide;N,N-dimethyl-2-(4-oxopentylcarbamoylamino)acetamide;N,N-dimethyl-2-(pentylcarbamoylamino)acetamide;2-[5-(2,2-dimethylpropanoyl)-1-methylpyrrol-2-yl]-N,N-dimethylacetamide;2-(ethylcarbamoylamino)-N,N-dimethylacetamide is sourced from PubChem (CID 158907960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).