(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide

C13H19ClN2O3 — CID 107567961

IUPAC(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C13H19ClN2O3/c1-4-5-9(15)13(17)16-10-7-11(18-2)8(14)6-12(10)19-3/h6-7,9H,4-5,15H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyBPNVHXBIHYKTKY-VIFPVBQESA-N
MW286.76 g/mol
LogP2.42
Rot. Bonds6

About (2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide

(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide (PubChem CID 107567961) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
PubChem CID107567961
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C13H19ClN2O3/c1-4-5-9(15)13(17)16-10-7-11(18-2)8(14)6-12(10)19-3/h6-7,9H,4-5,15H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyBPNVHXBIHYKTKY-VIFPVBQESA-N
XLogP2.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
CID 81081918
4-amino-5-(5-chloro-2,4-dimethoxyanilino)-5-oxopentanoic acid
CID 64895589
N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 119265950
2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119301241
2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
CID 103870871
(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
CID 107569473
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide (CID 107567961) is (2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide is CCC[C@H](N)C(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of (2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide?
The InChIKey is BPNVHXBIHYKTKY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-4-5-9(15)13(17)16-10-7-11(18-2)8(14)6-12(10)19-3/h6-7,9H,4-5,15H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide?
(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide has a molecular weight of 286.76 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide is sourced from PubChem (CID 107567961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).