N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

C26H27N3O4 — CID 42891198

IUPACN-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O4/c1-29(18-24(30)27-21-13-15-22(33-2)16-14-21)26(32)23(17-19-9-5-3-6-10-19)28-25(31)20-11-7-4-8-12-20/h3-16,23H,17-18H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyUEOHBVYJSFYJJM-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.13
Rot. Bonds9

About N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 42891198) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID42891198
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O4/c1-29(18-24(30)27-21-13-15-22(33-2)16-14-21)26(32)23(17-19-9-5-3-6-10-19)28-25(31)20-11-7-4-8-12-20/h3-16,23H,17-18H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyUEOHBVYJSFYJJM-UHFFFAOYSA-N
XLogP3.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222696
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222694
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
N-[(2R)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 40631438
(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 8821196
2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438577
[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 98418794
N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 85481980

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 42891198) is N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is COc1ccc(NC(=O)CN(C)C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is UEOHBVYJSFYJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-29(18-24(30)27-21-13-15-22(33-2)16-14-21)26(32)23(17-19-9-5-3-6-10-19)28-25(31)20-11-7-4-8-12-20/h3-16,23H,17-18H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 42891198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).