3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide

C22H22N2O2 — CID 95620334

IUPAC3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide
SMILESCC(=O)NCCC(=O)N[C@H](c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O2/c1-16(25)23-15-14-21(26)24-22(18-9-3-2-4-10-18)20-13-7-11-17-8-5-6-12-19(17)20/h2-13,22H,14-15H2,1H3,(H,23,25)(H,24,26)/t22-/m1/s1
InChIKeyURQVMVRKMWDWTG-JOCHJYFZSA-N
MW346.43 g/mol
LogP3.57
Rot. Bonds6

About 3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide

3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide (PubChem CID 95620334) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide
PubChem CID95620334
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide
SMILESCC(=O)NCCC(=O)N[C@H](c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O2/c1-16(25)23-15-14-21(26)24-22(18-9-3-2-4-10-18)20-13-7-11-17-8-5-6-12-19(17)20/h2-13,22H,14-15H2,1H3,(H,23,25)(H,24,26)/t22-/m1/s1
InChIKeyURQVMVRKMWDWTG-JOCHJYFZSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]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-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide
CID 171616627
N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 86936286
methyl (3R)-3-(3-acetamidopropanoylamino)-3-phenylpropanoate
CID 101427292
1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
CID 95367329
N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide
CID 2442272
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 99957493
3-acetamido-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 63260698
3-acetamido-N-phenylpropanamide
CID 7946185
4-bromo-N-[3-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]benzamide
CID 40790967
3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100602252
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 86880225

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide?
The IUPAC name of 3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide (CID 95620334) is 3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide is CC(=O)NCCC(=O)N[C@H](c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide?
The InChIKey is URQVMVRKMWDWTG-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(25)23-15-14-21(26)24-22(18-9-3-2-4-10-18)20-13-7-11-17-8-5-6-12-19(17)20/h2-13,22H,14-15H2,1H3,(H,23,25)(H,24,26)/t22-/m1/s1.
What are the key properties of 3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide?
3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide is sourced from PubChem (CID 95620334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).