(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide

C17H20N2O2 — CID 71163130

IUPAC(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
SMILESCC(=O)[C@H](N)NC(=O)[C@@H](C)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O2/c1-11(17(21)19-16(18)12(2)20)9-13-7-8-14-5-3-4-6-15(14)10-13/h3-8,10-11,16H,9,18H2,1-2H3,(H,19,21)/t11-,16+/m0/s1
InChIKeyNXNFHYXUYHHGOW-MEDUHNTESA-N
MW284.36 g/mol
LogP2.01
Rot. Bonds5

About (2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide

(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide (PubChem CID 71163130) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
PubChem CID71163130
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
SMILESCC(=O)[C@H](N)NC(=O)[C@@H](C)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O2/c1-11(17(21)19-16(18)12(2)20)9-13-7-8-14-5-3-4-6-15(14)10-13/h3-8,10-11,16H,9,18H2,1-2H3,(H,19,21)/t11-,16+/m0/s1
InChIKeyNXNFHYXUYHHGOW-MEDUHNTESA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide 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)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide
CID 91406698
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide
CID 167079365
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide
CID 67746148
propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 156677951
(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
CID 54434118
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
CID 102138109
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide (CID 71163130) is (2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide is CC(=O)[C@H](N)NC(=O)[C@@H](C)Cc1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide?
The InChIKey is NXNFHYXUYHHGOW-MEDUHNTESA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11(17(21)19-16(18)12(2)20)9-13-7-8-14-5-3-4-6-15(14)10-13/h3-8,10-11,16H,9,18H2,1-2H3,(H,19,21)/t11-,16+/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide?
(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 71163130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).