3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide

C29H33N3O4 — CID 147635325

IUPAC3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide
SMILESCOc1ccc(CC(=O)NC(C)(Cc2cccc(NC(C)=O)c2)C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C29H33N3O4/c1-20(24-10-6-5-7-11-24)30-28(35)29(3,19-23-9-8-12-25(17-23)31-21(2)33)32-27(34)18-22-13-15-26(36-4)16-14-22/h5-17,20H,18-19H2,1-4H3,(H,30,35)(H,31,33)(H,32,34)/t20-,29?/m0/s1
InChIKeyGGNIXWGFVJGOCY-OORIHMLWSA-N
MW487.60 g/mol
LogP4.19
Rot. Bonds10

About 3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide

3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 147635325) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide
PubChem CID147635325
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide
SMILESCOc1ccc(CC(=O)NC(C)(Cc2cccc(NC(C)=O)c2)C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C29H33N3O4/c1-20(24-10-6-5-7-11-24)30-28(35)29(3,19-23-9-8-12-25(17-23)31-21(2)33)32-27(34)18-22-13-15-26(36-4)16-14-22/h5-17,20H,18-19H2,1-4H3,(H,30,35)(H,31,33)(H,32,34)/t20-,29?/m0/s1
InChIKeyGGNIXWGFVJGOCY-OORIHMLWSA-N
XLogP4.19
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
benzyl N-[(2R)-3-(1H-indol-3-yl)-1-[1-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 54398471
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 55666139
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
2-(3-methoxyanilino)-N-(1-phenylethyl)acetamide
CID 54814569
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide (CID 147635325) is 3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide is COc1ccc(CC(=O)NC(C)(Cc2cccc(NC(C)=O)c2)C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is GGNIXWGFVJGOCY-OORIHMLWSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-20(24-10-6-5-7-11-24)30-28(35)29(3,19-23-9-8-12-25(17-23)31-21(2)33)32-27(34)18-22-13-15-26(36-4)16-14-22/h5-17,20H,18-19H2,1-4H3,(H,30,35)(H,31,33)(H,32,34)/t20-,29?/m0/s1.
What are the key properties of 3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide?
3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 487.60 g/mol, XLogP of 4.19, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-methyl-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 147635325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).