2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide

C14H22N2O2 — CID 24690909

IUPAC2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
SMILESCOc1ccc(C)cc1NC(=O)C(N)CC(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)7-11(15)14(17)16-12-8-10(3)5-6-13(12)18-4/h5-6,8-9,11H,7,15H2,1-4H3,(H,16,17)
InChIKeyYTWIRSOGWXHZFM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.32
Rot. Bonds5

About 2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide

2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide (PubChem CID 24690909) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
PubChem CID24690909
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
SMILESCOc1ccc(C)cc1NC(=O)C(N)CC(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)7-11(15)14(17)16-12-8-10(3)5-6-13(12)18-4/h5-6,8-9,11H,7,15H2,1-4H3,(H,16,17)
InChIKeyYTWIRSOGWXHZFM-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
2-amino-N-(2-methoxy-5-nitrophenyl)-4-methylpentanamide
CID 43426915
methyl 2-[(2-amino-4-methylpentanoyl)amino]-5-methylbenzoate
CID 43701493
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 43710840
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-methylbutanoate
CID 46512010
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 40917712

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide (CID 24690909) is 2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide is COc1ccc(C)cc1NC(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide?
The InChIKey is YTWIRSOGWXHZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)7-11(15)14(17)16-12-8-10(3)5-6-13(12)18-4/h5-6,8-9,11H,7,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide?
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 24690909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).