(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide

C20H23N3O3 — CID 25329518

IUPAC(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide
SMILESC[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C20H23N3O3/c1-14(19(24)23-20(25)22-17-7-8-17)21-16-9-11-18(12-10-16)26-13-15-5-3-2-4-6-15/h2-6,9-12,14,17,21H,7-8,13H2,1H3,(H2,22,23,24,25)/t14-/m0/s1
InChIKeyUAQZMBRCDSQXLA-AWEZNQCLSA-N
MW353.42 g/mol
LogP3.05
Rot. Bonds7

About (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide

(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide (PubChem CID 25329518) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide
PubChem CID25329518
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide
SMILESC[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C20H23N3O3/c1-14(19(24)23-20(25)22-17-7-8-17)21-16-9-11-18(12-10-16)26-13-15-5-3-2-4-6-15/h2-6,9-12,14,17,21H,7-8,13H2,1H3,(H2,22,23,24,25)/t14-/m0/s1
InChIKeyUAQZMBRCDSQXLA-AWEZNQCLSA-N
XLogP3.05
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)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

2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 18278824
4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511597
N-(cyclopropylcarbamoyl)-2-[3-(pyridin-2-ylmethoxy)anilino]propanamide
CID 55684292
2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide
CID 47486362
N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
CID 154774074
(2R)-N-(2-methoxyphenyl)-2-(4-phenylmethoxyanilino)propanamide
CID 7830477
N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 55511040
2-(1,3-benzodioxol-5-ylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 71903508
2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide
CID 51281599
methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one
CID 143735072
(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide
CID 41104777

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide?
The IUPAC name of (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide (CID 25329518) is (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide?
The canonical SMILES for (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide is C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)NC(=O)NC1CC1.
What is the InChIKey of (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide?
The InChIKey is UAQZMBRCDSQXLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(19(24)23-20(25)22-17-7-8-17)21-16-9-11-18(12-10-16)26-13-15-5-3-2-4-6-15/h2-6,9-12,14,17,21H,7-8,13H2,1H3,(H2,22,23,24,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide?
(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide has a molecular weight of 353.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide is sourced from PubChem (CID 25329518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).