(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide

C14H21ClN2O3 — CID 28515111

IUPAC(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-5-8(2)13(16)14(18)17-10-6-9(15)11(19-3)7-12(10)20-4/h6-8,13H,5,16H2,1-4H3,(H,17,18)/t8-,13-/m0/s1
InChIKeyFVCUBUIUKQTZTR-SDBXPKJASA-N
MW300.79 g/mol
LogP2.67
Rot. Bonds6

About (2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide

(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide (PubChem CID 28515111) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
PubChem CID28515111
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-5-8(2)13(16)14(18)17-10-6-9(15)11(19-3)7-12(10)20-4/h6-8,13H,5,16H2,1-4H3,(H,17,18)/t8-,13-/m0/s1
InChIKeyFVCUBUIUKQTZTR-SDBXPKJASA-N
XLogP2.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
4-[(2-amino-3-methylpentanoyl)amino]-5-chloro-2-methoxybenzoic acid
CID 61161027
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
3-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63744628
4-amino-5-(5-chloro-2,4-dimethoxyanilino)-5-oxopentanoic acid
CID 64895589
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63742251
3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
CID 81070242
2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119815091
(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide (CID 28515111) is (2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of (2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide?
The InChIKey is FVCUBUIUKQTZTR-SDBXPKJASA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-5-8(2)13(16)14(18)17-10-6-9(15)11(19-3)7-12(10)20-4/h6-8,13H,5,16H2,1-4H3,(H,17,18)/t8-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide has a molecular weight of 300.79 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 28515111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).