N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide

C14H22N2O — CID 50879810

IUPACN-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide
SMILESCCc1cc(N)cc(C)c1NC(=O)CC(C)C
InChIInChI=1S/C14H22N2O/c1-5-11-8-12(15)7-10(4)14(11)16-13(17)6-9(2)3/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyFSSLYTWMHRIRND-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.12
Rot. Bonds4

About N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide

N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide (PubChem CID 50879810) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide
PubChem CID50879810
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide
SMILESCCc1cc(N)cc(C)c1NC(=O)CC(C)C
InChIInChI=1S/C14H22N2O/c1-5-11-8-12(15)7-10(4)14(11)16-13(17)6-9(2)3/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyFSSLYTWMHRIRND-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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-bromo-6-methylphenyl)-3-methylbutanamide
CID 100816637
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(4-amino-2-ethyl-6-methylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 50880901
N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide
CID 112555256
N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
CID 50880400
N-(2-amino-4,5-dimethylphenyl)-3-methylbutanamide
CID 28691546
N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide
CID 50880485
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
N-(4-amino-2,6-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 79993432
[2-[4-amino-3-[[5-amino-3-methyl-2-[[2-(triethylazaniumyl)acetyl]amino]phenyl]methyl]anilino]-2-oxoethyl]-triethylazanium
CID 145255039
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 20961981

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide?
The IUPAC name of N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide (CID 50879810) is N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide is CCc1cc(N)cc(C)c1NC(=O)CC(C)C.
What is the InChIKey of N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide?
The InChIKey is FSSLYTWMHRIRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-11-8-12(15)7-10(4)14(11)16-13(17)6-9(2)3/h7-9H,5-6,15H2,1-4H3,(H,16,17).
What are the key properties of N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide?
N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 50879810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).