(2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide

C21H21N3O3 — CID 101074352

IUPAC(2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide
SMILESC[C@@H](C(=O)NO)N(Cc1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H21N3O3/c1-15(20(25)23-27)24(14-16-8-3-2-4-9-16)21(26)22-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15,27H,14H2,1H3,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyWELWXDPLFJDFIV-HNNXBMFYSA-N
MW363.42 g/mol
LogP3.77
Rot. Bonds5

About (2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide

(2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide (PubChem CID 101074352) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide
PubChem CID101074352
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide
SMILESC[C@@H](C(=O)NO)N(Cc1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H21N3O3/c1-15(20(25)23-27)24(14-16-8-3-2-4-9-16)21(26)22-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15,27H,14H2,1H3,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyWELWXDPLFJDFIV-HNNXBMFYSA-N
XLogP3.77
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide 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

(2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide
CID 11732290
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
1-benzyl-1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-naphthalen-1-ylurea
CID 42716115
[3-[[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate
CID 4229802
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide
CID 110880711
2-[benzyl(methyl)amino]-N-naphthalen-1-ylacetamide
CID 8901088
(2S)-2-[benzyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide
CID 101074343
1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-naphthalen-1-ylurea
CID 42708381
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide?
The IUPAC name of (2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide (CID 101074352) is (2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide.
What is the SMILES notation for (2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide?
The canonical SMILES for (2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide is C[C@@H](C(=O)NO)N(Cc1ccccc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide?
The InChIKey is WELWXDPLFJDFIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15(20(25)23-27)24(14-16-8-3-2-4-9-16)21(26)22-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15,27H,14H2,1H3,(H,22,26)(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide?
(2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide has a molecular weight of 363.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide is sourced from PubChem (CID 101074352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).