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

C12H18N2O — CID 960629

IUPACN-(4-amino-2-methylphenyl)-3-methylbutanamide
SMILESCc1cc(N)ccc1NC(=O)CC(C)C
InChIInChI=1S/C12H18N2O/c1-8(2)6-12(15)14-11-5-4-10(13)7-9(11)3/h4-5,7-8H,6,13H2,1-3H3,(H,14,15)
InChIKeyMCKIAYTUKYRNMY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.56
Rot. Bonds3

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

N-(4-amino-2-methylphenyl)-3-methylbutanamide (PubChem CID 960629) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-methylbutanamide
PubChem CID960629
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(4-amino-2-methylphenyl)-3-methylbutanamide
SMILESCc1cc(N)ccc1NC(=O)CC(C)C
InChIInChI=1S/C12H18N2O/c1-8(2)6-12(15)14-11-5-4-10(13)7-9(11)3/h4-5,7-8H,6,13H2,1-3H3,(H,14,15)
InChIKeyMCKIAYTUKYRNMY-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.56
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-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-formyl-2-methylphenyl)-3-methylbutanamide
CID 143315991
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(2-amino-4,5-dimethylphenyl)-3-methylbutanamide
CID 28691546
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159
N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
CID 107770540
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-methylbutanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-methylbutanamide (CID 960629) is N-(4-amino-2-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-methylbutanamide is Cc1cc(N)ccc1NC(=O)CC(C)C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-methylbutanamide?
The InChIKey is MCKIAYTUKYRNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)6-12(15)14-11-5-4-10(13)7-9(11)3/h4-5,7-8H,6,13H2,1-3H3,(H,14,15).
What are the key properties of N-(4-amino-2-methylphenyl)-3-methylbutanamide?
N-(4-amino-2-methylphenyl)-3-methylbutanamide has a molecular weight of 206.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 960629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).