(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide

C23H23N3O3 — CID 7830436

IUPAC(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-16(23(28)26-20-10-8-19(9-11-20)25-17(2)27)24-18-12-14-22(15-13-18)29-21-6-4-3-5-7-21/h3-16,24H,1-2H3,(H,25,27)(H,26,28)/t16-/m0/s1
InChIKeyZMPBPHFAVDMVHB-INIZCTEOSA-N
MW389.46 g/mol
LogP4.88
Rot. Bonds7

About (2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide

(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide (PubChem CID 7830436) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
PubChem CID7830436
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-16(23(28)26-20-10-8-19(9-11-20)25-17(2)27)24-18-12-14-22(15-13-18)29-21-6-4-3-5-7-21/h3-16,24H,1-2H3,(H,25,27)(H,26,28)/t16-/m0/s1
InChIKeyZMPBPHFAVDMVHB-INIZCTEOSA-N
XLogP4.88
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide 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-methyl-2-(4-phenoxyanilino)propanamide
CID 43085961
(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
CID 25409314
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7838042
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949676
phenoxybenzene;N-phenylacetamide
CID 174350344
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide
CID 8771908
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide (CID 7830436) is (2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide?
The InChIKey is ZMPBPHFAVDMVHB-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16(23(28)26-20-10-8-19(9-11-20)25-17(2)27)24-18-12-14-22(15-13-18)29-21-6-4-3-5-7-21/h3-16,24H,1-2H3,(H,25,27)(H,26,28)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide?
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide has a molecular weight of 389.46 g/mol, XLogP of 4.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide is sourced from PubChem (CID 7830436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).