2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide

C13H19ClN2O2 — CID 24707805

IUPAC2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-8(2)12(15)13(17)16-9-5-6-11(18-3)10(14)7-9/h5-8,12H,4,15H2,1-3H3,(H,16,17)
InChIKeyFNMDTVKLLCCTBH-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.66
Rot. Bonds5

About 2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide

2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide (PubChem CID 24707805) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
PubChem CID24707805
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-8(2)12(15)13(17)16-9-5-6-11(18-3)10(14)7-9/h5-8,12H,4,15H2,1-3H3,(H,16,17)
InChIKeyFNMDTVKLLCCTBH-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-chlorobenzoic acid
CID 61399074
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide
CID 113314970
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599
2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
(2S)-2-amino-N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 82963168

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide (CID 24707805) is 2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide?
The InChIKey is FNMDTVKLLCCTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-8(2)12(15)13(17)16-9-5-6-11(18-3)10(14)7-9/h5-8,12H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide?
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide has a molecular weight of 270.76 g/mol, XLogP of 2.66, 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-chloro-4-methoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 24707805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).