N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine

C25H38ClN3O — CID 143706089

IUPACN-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CN)CC1.CCCN(C(C)=O)c1cccc(N)c1.Clc1ccccc1
InChIInChI=1S/C11H16N2O.C8H17N.C6H5Cl/c1-3-7-13(9(2)14)11-6-4-5-10(12)8-11;1-7-2-4-8(6-9)5-3-7;7-6-4-2-1-3-5-6/h4-6,8H,3,7,12H2,1-2H3;7-8H,2-6,9H2,1H3;1-5H
InChIKeyWEGDLTMJJIAGMA-UHFFFAOYSA-N
MW432.05 g/mol
LogP6.14
Rot. Bonds4

About N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine

N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine (PubChem CID 143706089) has the molecular formula C25H38ClN3O and a molecular weight of 432.05 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine
PubChem CID143706089
Molecular FormulaC25H38ClN3O
Molecular Weight432.05 g/mol
Exact Mass431.27
IUPAC NameN-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CN)CC1.CCCN(C(C)=O)c1cccc(N)c1.Clc1ccccc1
InChIInChI=1S/C11H16N2O.C8H17N.C6H5Cl/c1-3-7-13(9(2)14)11-6-4-5-10(12)8-11;1-7-2-4-8(6-9)5-3-7;7-6-4-2-1-3-5-6/h4-6,8H,3,7,12H2,1-2H3;7-8H,2-6,9H2,1H3;1-5H
InChIKeyWEGDLTMJJIAGMA-UHFFFAOYSA-N
XLogP6.14
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.05
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine 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-cyclopropyl-N-propylacetamide
CID 63229908
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
N-(3-aminophenyl)-N-propylcyclohexanecarboxamide
CID 63229982
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
CID 63229837
3-chloroaniline;cyclopropylmethanamine
CID 69484094
N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide
CID 80643965
N-(3-aminophenyl)-5-chloro-2-methyl-N-propylbenzamide
CID 82877888
N-(3-aminophenyl)-3-bromo-5-chloro-N-propylbenzamide
CID 107937520
N-(3-aminophenyl)-4-bromo-3-chloro-N-propylbenzamide
CID 81289017
N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide
CID 79212146

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine?
The IUPAC name of N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine (CID 143706089) is N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine.
What is the SMILES notation for N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine?
The canonical SMILES for N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine is CC1CCC(CN)CC1.CCCN(C(C)=O)c1cccc(N)c1.Clc1ccccc1.
What is the InChIKey of N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine?
The InChIKey is WEGDLTMJJIAGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C8H17N.C6H5Cl/c1-3-7-13(9(2)14)11-6-4-5-10(12)8-11;1-7-2-4-8(6-9)5-3-7;7-6-4-2-1-3-5-6/h4-6,8H,3,7,12H2,1-2H3;7-8H,2-6,9H2,1H3;1-5H.
What are the key properties of N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine?
N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine has a molecular weight of 432.05 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 143706089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).