3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide

C15H22N2O — CID 113463843

IUPAC3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide
SMILESCC(CC(=O)NCC1CC1C)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O/c1-10-7-13(10)9-17-15(18)8-11(2)12-3-5-14(16)6-4-12/h3-6,10-11,13H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyIWXQSQVVEWARTJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.53
Rot. Bonds5

About 3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide

3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide (PubChem CID 113463843) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide
PubChem CID113463843
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide
SMILESCC(CC(=O)NCC1CC1C)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O/c1-10-7-13(10)9-17-15(18)8-11(2)12-3-5-14(16)6-4-12/h3-6,10-11,13H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyIWXQSQVVEWARTJ-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.53
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

2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 115597585
3-(4-aminophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106026170
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 120944779
3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide
CID 104502419
3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
CID 104502586
3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide
CID 106186853
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
4-[3-(4-aminophenyl)butanoylamino]-3-methylbutanoic acid
CID 104502854
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 104502977
3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide
CID 104502779

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide (CID 113463843) is 3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide is CC(CC(=O)NCC1CC1C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide?
The InChIKey is IWXQSQVVEWARTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-7-13(10)9-17-15(18)8-11(2)12-3-5-14(16)6-4-12/h3-6,10-11,13H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide?
3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide has a molecular weight of 246.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 113463843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).