4-(3-aminophenyl)-N-(2-methylpropyl)butanamide

C14H22N2O — CID 94262385

IUPAC4-(3-aminophenyl)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCc1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-11(2)10-16-14(17)8-4-6-12-5-3-7-13(15)9-12/h3,5,7,9,11H,4,6,8,10,15H2,1-2H3,(H,16,17)
InChIKeyNOQNSZIIJZCSEY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.36
Rot. Bonds6

About 4-(3-aminophenyl)-N-(2-methylpropyl)butanamide

4-(3-aminophenyl)-N-(2-methylpropyl)butanamide (PubChem CID 94262385) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-(2-methylpropyl)butanamide
PubChem CID94262385
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(3-aminophenyl)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCc1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-11(2)10-16-14(17)8-4-6-12-5-3-7-13(15)9-12/h3,5,7,9,11H,4,6,8,10,15H2,1-2H3,(H,16,17)
InChIKeyNOQNSZIIJZCSEY-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.36
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-methylpropyl)-5-phenylpentanamide
CID 110297876
3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide
CID 115341412
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
3-(3-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
CID 115341572
2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459091
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
2-[[3-(3-aminophenyl)propanoylamino]methyl]pentanoic acid
CID 115341508
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
CID 82721321
4-[3-(3-aminophenyl)propanoylamino]-2-methylbutanoic acid
CID 115341605
3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006137

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-(3-aminophenyl)-N-(2-methylpropyl)butanamide (CID 94262385) is 4-(3-aminophenyl)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-(3-aminophenyl)-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)CCCc1cccc(N)c1.
What is the InChIKey of 4-(3-aminophenyl)-N-(2-methylpropyl)butanamide?
The InChIKey is NOQNSZIIJZCSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)10-16-14(17)8-4-6-12-5-3-7-13(15)9-12/h3,5,7,9,11H,4,6,8,10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-(3-aminophenyl)-N-(2-methylpropyl)butanamide?
4-(3-aminophenyl)-N-(2-methylpropyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 94262385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).