2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide

C13H19ClN2O2 — CID 81082683

IUPAC2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
SMILESCCC(NC(=O)C(N)COC)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-12(9-5-4-6-10(14)7-9)16-13(17)11(15)8-18-2/h4-7,11-12H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyWJIOQBQNWFTLNJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.88
Rot. Bonds6

About 2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide

2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide (PubChem CID 81082683) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
PubChem CID81082683
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
SMILESCCC(NC(=O)C(N)COC)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-12(9-5-4-6-10(14)7-9)16-13(17)11(15)8-18-2/h4-7,11-12H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyWJIOQBQNWFTLNJ-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
CID 119285536
3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid
CID 64896597
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
CID 81083078
methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate
CID 71243030
2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-methylpentanamide;hydrochloride
CID 119820004
2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120989904
methyl 3-[(2-amino-3-methoxypropanoyl)amino]-3-(3-bromophenyl)propanoate
CID 120987190
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide (CID 81082683) is 2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide is CCC(NC(=O)C(N)COC)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide?
The InChIKey is WJIOQBQNWFTLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-12(9-5-4-6-10(14)7-9)16-13(17)11(15)8-18-2/h4-7,11-12H,3,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide?
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide has a molecular weight of 270.76 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide is sourced from PubChem (CID 81082683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).