2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide

C11H15ClN2O2 — CID 81082143

IUPAC2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-16-7-10(13)11(15)14-6-8-3-2-4-9(12)5-8/h2-5,10H,6-7,13H2,1H3,(H,14,15)
InChIKeyJDBIKPBGDSWHIC-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.93
Rot. Bonds5

About 2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide

2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide (PubChem CID 81082143) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
PubChem CID81082143
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-16-7-10(13)11(15)14-6-8-3-2-4-9(12)5-8/h2-5,10H,6-7,13H2,1H3,(H,14,15)
InChIKeyJDBIKPBGDSWHIC-UHFFFAOYSA-N
XLogP0.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
methyl 3-[[(2-amino-3-methoxypropanoyl)amino]methyl]benzoate;hydrochloride
CID 120992458
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
CID 119673570
2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120993277
1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426617
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
tert-butyl N-[(5S)-5-amino-6-[(3-chlorophenyl)methylamino]-6-oxohexyl]carbamate
CID 118899202
N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124287
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide (CID 81082143) is 2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide is COCC(N)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide?
The InChIKey is JDBIKPBGDSWHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-7-10(13)11(15)14-6-8-3-2-4-9(12)5-8/h2-5,10H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide?
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide has a molecular weight of 242.71 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 81082143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).