3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide

C25H25ClN2O3 — CID 134012020

IUPAC3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H25ClN2O3/c1-18(29)27-24(20-8-10-21(26)11-9-20)16-25(30)28(17-19-6-4-3-5-7-19)22-12-14-23(31-2)15-13-22/h3-15,24H,16-17H2,1-2H3,(H,27,29)
InChIKeyDEGFWYYYSPXEKG-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.15
Rot. Bonds8

About 3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide

3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide (PubChem CID 134012020) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
PubChem CID134012020
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H25ClN2O3/c1-18(29)27-24(20-8-10-21(26)11-9-20)16-25(30)28(17-19-6-4-3-5-7-19)22-12-14-23(31-2)15-13-22/h3-15,24H,16-17H2,1-2H3,(H,27,29)
InChIKeyDEGFWYYYSPXEKG-UHFFFAOYSA-N
XLogP5.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 55387919
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide
CID 55495044
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 86924803
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
CID 86912332
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide (CID 134012020) is 3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide is COc1ccc(N(Cc2ccccc2)C(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is DEGFWYYYSPXEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-18(29)27-24(20-8-10-21(26)11-9-20)16-25(30)28(17-19-6-4-3-5-7-19)22-12-14-23(31-2)15-13-22/h3-15,24H,16-17H2,1-2H3,(H,27,29).
What are the key properties of 3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide?
3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 436.94 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 134012020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).