N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide

C17H26N2O2 — CID 64745512

IUPACN-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide
SMILESCC1CCC(OCCC(=O)Nc2ccc(N)cc2)CC1C
InChIInChI=1S/C17H26N2O2/c1-12-3-8-16(11-13(12)2)21-10-9-17(20)19-15-6-4-14(18)5-7-15/h4-7,12-13,16H,3,8-11,18H2,1-2H3,(H,19,20)
InChIKeyAQZBZILIXSGLMB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.44
Rot. Bonds5

About N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide

N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide (PubChem CID 64745512) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide
PubChem CID64745512
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide
SMILESCC1CCC(OCCC(=O)Nc2ccc(N)cc2)CC1C
InChIInChI=1S/C17H26N2O2/c1-12-3-8-16(11-13(12)2)21-10-9-17(20)19-15-6-4-14(18)5-7-15/h4-7,12-13,16H,3,8-11,18H2,1-2H3,(H,19,20)
InChIKeyAQZBZILIXSGLMB-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide 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

N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64745889
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
CID 61289162
[(1R,3S,4R)-3,4-dimethylcyclohexyl] 4-(4-ethoxyanilino)-4-oxobutanoate
CID 6558451
[(1S,3R,4R)-3,4-dimethylcyclohexyl] 4-(4-ethoxyanilino)-4-oxobutanoate
CID 7310945
N-[4-(aminomethyl)phenyl]-3-cyclopentyloxypropanamide
CID 16788868
N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64745115
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535
N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
CID 43372575
N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 43825399
N-(4-acetylphenyl)-3-piperidin-4-yloxypropanamide
CID 63905254
(3,4-dimethylcyclohexyl) 4-aminobenzoate
CID 64746890
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64744330

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide?
The IUPAC name of N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide (CID 64745512) is N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide is CC1CCC(OCCC(=O)Nc2ccc(N)cc2)CC1C.
What is the InChIKey of N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide?
The InChIKey is AQZBZILIXSGLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-3-8-16(11-13(12)2)21-10-9-17(20)19-15-6-4-14(18)5-7-15/h4-7,12-13,16H,3,8-11,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide?
N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide has a molecular weight of 290.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide is sourced from PubChem (CID 64745512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).