2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide

C15H24N2O — CID 106591847

IUPAC2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
SMILESCC(C(=O)NCCC(C)(C)C)c1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-11(12-6-5-7-13(16)10-12)14(18)17-9-8-15(2,3)4/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyIHSHTJKSBJRQOK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds4

About 2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide

2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide (PubChem CID 106591847) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
PubChem CID106591847
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
SMILESCC(C(=O)NCCC(C)(C)C)c1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-11(12-6-5-7-13(16)10-12)14(18)17-9-8-15(2,3)4/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyIHSHTJKSBJRQOK-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
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

tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 106591538
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 106591189
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314
2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 106590796
2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006140
2-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]propanamide
CID 106591402
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide (CID 106591847) is 2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide is CC(C(=O)NCCC(C)(C)C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide?
The InChIKey is IHSHTJKSBJRQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(12-6-5-7-13(16)10-12)14(18)17-9-8-15(2,3)4/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide?
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide is sourced from PubChem (CID 106591847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).