N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide

C14H22N2O2 — CID 53387443

IUPACN-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC[C@H](CCN)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-18-11-14(17)16-10-8-13(7-9-15)12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyXXZOTDQQVFHSES-ZDUSSCGKSA-N
MW250.34 g/mol
LogP1.27
Rot. Bonds8

About N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide

N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide (PubChem CID 53387443) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide
PubChem CID53387443
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC[C@H](CCN)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-18-11-14(17)16-10-8-13(7-9-15)12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyXXZOTDQQVFHSES-ZDUSSCGKSA-N
XLogP1.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide 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-(2-hydroxy-2-phenylethyl)-2-methoxyacetamide
CID 60654245
N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide
CID 61208870
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide
CID 110479161
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide
CID 121112218
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
CID 71787908
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide?
The IUPAC name of N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide (CID 53387443) is N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide?
The canonical SMILES for N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide is COCC(=O)NCC[C@H](CCN)c1ccccc1.
What is the InChIKey of N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide?
The InChIKey is XXZOTDQQVFHSES-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-11-14(17)16-10-8-13(7-9-15)12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide?
N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide is sourced from PubChem (CID 53387443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).