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

C14H22N2O3 — CID 22691067

IUPAC(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)[C@@H](N)CC(C)C)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-9(2)7-11(15)14(17)16-12-6-5-10(18-3)8-13(12)19-4/h5-6,8-9,11H,7,15H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyTWKNJQIGDKAJEO-NSHDSACASA-N
MW266.34 g/mol
LogP2.02
Rot. Bonds6

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

(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide (PubChem CID 22691067) 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)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
PubChem CID22691067
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)[C@@H](N)CC(C)C)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-9(2)7-11(15)14(17)16-12-6-5-10(18-3)8-13(12)19-4/h5-6,8-9,11H,7,15H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyTWKNJQIGDKAJEO-NSHDSACASA-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

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Related Compounds

2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide
CID 43708269
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-4-methylpentanamide
CID 61179493
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 7605329
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
2-amino-N-(2-methoxy-5-nitrophenyl)-4-methylpentanamide
CID 43426915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide (CID 22691067) is (2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide is COc1ccc(NC(=O)[C@@H](N)CC(C)C)c(OC)c1.
What is the InChIKey of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide?
The InChIKey is TWKNJQIGDKAJEO-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)7-11(15)14(17)16-12-6-5-10(18-3)8-13(12)19-4/h5-6,8-9,11H,7,15H2,1-4H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide?
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-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)-4-methylpentanamide is sourced from PubChem (CID 22691067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).