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

C14H22N2O3 — CID 22690883

IUPAC(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-5-9(2)13(15)14(17)16-11-7-6-10(18-3)8-12(11)19-4/h6-9,13H,5,15H2,1-4H3,(H,16,17)/t9?,13-/m0/s1
InChIKeyRDXOQIVOBQLWMT-NCWAPJAISA-N
MW266.34 g/mol
LogP2.02
Rot. Bonds6

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

(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide (PubChem CID 22690883) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
PubChem CID22690883
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-5-9(2)13(15)14(17)16-11-7-6-10(18-3)8-12(11)19-4/h6-9,13H,5,15H2,1-4H3,(H,16,17)/t9?,13-/m0/s1
InChIKeyRDXOQIVOBQLWMT-NCWAPJAISA-N
XLogP2.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
(2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide
CID 169181195
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 43699664
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63742251
3-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63744628
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide (CID 22690883) is (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide?
The InChIKey is RDXOQIVOBQLWMT-NCWAPJAISA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-9(2)13(15)14(17)16-11-7-6-10(18-3)8-12(11)19-4/h6-9,13H,5,15H2,1-4H3,(H,16,17)/t9?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide?
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide has a molecular weight of 266.34 g/mol, XLogP of 2.02, 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-(2,4-dimethoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 22690883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).