N-(2-amino-4-methylphenyl)-3-methylpentanamide

C13H20N2O — CID 114873461

IUPACN-(2-amino-4-methylphenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C13H20N2O/c1-4-9(2)8-13(16)15-12-6-5-10(3)7-11(12)14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyGYYXNFLQGAMOII-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.95
Rot. Bonds4

About N-(2-amino-4-methylphenyl)-3-methylpentanamide

N-(2-amino-4-methylphenyl)-3-methylpentanamide (PubChem CID 114873461) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-3-methylpentanamide
PubChem CID114873461
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-amino-4-methylphenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C13H20N2O/c1-4-9(2)8-13(16)15-12-6-5-10(3)7-11(12)14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyGYYXNFLQGAMOII-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506
(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
CID 40788863
N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide
CID 54943807
N-(4-amino-2-bromophenyl)-3-methylpentanamide
CID 114873501
N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide
CID 61289452
N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376605
N-(2-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376005
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
CID 114875840
N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505292
4-amino-2-(3-methylpentanoylamino)benzoic acid
CID 114873524
N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide
CID 107697356
N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide
CID 108521402

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-3-methylpentanamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-3-methylpentanamide (CID 114873461) is N-(2-amino-4-methylphenyl)-3-methylpentanamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-3-methylpentanamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-3-methylpentanamide is CCC(C)CC(=O)Nc1ccc(C)cc1N.
What is the InChIKey of N-(2-amino-4-methylphenyl)-3-methylpentanamide?
The InChIKey is GYYXNFLQGAMOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-9(2)8-13(16)15-12-6-5-10(3)7-11(12)14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-4-methylphenyl)-3-methylpentanamide?
N-(2-amino-4-methylphenyl)-3-methylpentanamide has a molecular weight of 220.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-3-methylpentanamide is sourced from PubChem (CID 114873461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).