2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide

C14H22N2O — CID 24690389

IUPAC2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
SMILESCc1ccc(C)c(NC(=O)C(N)CC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-9(2)7-12(15)14(17)16-13-8-10(3)5-6-11(13)4/h5-6,8-9,12H,7,15H2,1-4H3,(H,16,17)
InChIKeyHQCZCLPEZKUDDH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.62
Rot. Bonds4

About 2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide

2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide (PubChem CID 24690389) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
PubChem CID24690389
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
SMILESCc1ccc(C)c(NC(=O)C(N)CC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-9(2)7-12(15)14(17)16-13-8-10(3)5-6-11(13)4/h5-6,8-9,12H,7,15H2,1-4H3,(H,16,17)
InChIKeyHQCZCLPEZKUDDH-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
CID 61179907
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 61155453
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807
methyl 2-[(2-amino-4-methylpentanoyl)amino]-5-methylbenzoate
CID 43701493
(2S)-2-amino-4-methyl-N-(4-methyl-3-pyridinyl)pentanamide
CID 63327835
methyl (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 942819
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide (CID 24690389) is 2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide is Cc1ccc(C)c(NC(=O)C(N)CC(C)C)c1.
What is the InChIKey of 2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide?
The InChIKey is HQCZCLPEZKUDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)7-12(15)14(17)16-13-8-10(3)5-6-11(13)4/h5-6,8-9,12H,7,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide?
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide is sourced from PubChem (CID 24690389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).