2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide

C13H18N2O — CID 115739567

IUPAC2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(N)cc1)C1CCC1
InChIInChI=1S/C13H18N2O/c1-15(12-3-2-4-12)13(16)9-10-5-7-11(14)8-6-10/h5-8,12H,2-4,9,14H2,1H3
InChIKeyAIAXXOONSQJHSN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.82
Rot. Bonds3

About 2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide

2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide (PubChem CID 115739567) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
PubChem CID115739567
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(N)cc1)C1CCC1
InChIInChI=1S/C13H18N2O/c1-15(12-3-2-4-12)13(16)9-10-5-7-11(14)8-6-10/h5-8,12H,2-4,9,14H2,1H3
InChIKeyAIAXXOONSQJHSN-UHFFFAOYSA-N
XLogP1.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide
CID 63590526
2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
CID 119803165
2-(4-aminophenyl)-N-cyclohexyl-N-(cyclopropylmethyl)acetamide
CID 119769987
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866
2-(5-amino-2-pyridinyl)-N-cyclohexyl-N-methylacetamide
CID 107337433
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
N-cyclopropyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 77001320
2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43568614
2-(2-aminophenyl)-N-cyclohexyl-N-methylacetamide
CID 16793266
4-amino-N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]benzamide
CID 43213215
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide (CID 115739567) is 2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide is CN(C(=O)Cc1ccc(N)cc1)C1CCC1.
What is the InChIKey of 2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide?
The InChIKey is AIAXXOONSQJHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15(12-3-2-4-12)13(16)9-10-5-7-11(14)8-6-10/h5-8,12H,2-4,9,14H2,1H3.
What are the key properties of 2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide?
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide has a molecular weight of 218.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide is sourced from PubChem (CID 115739567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).