N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide

C17H27N3O — CID 43375625

IUPACN-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)c1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-3-20(16-7-5-4-6-8-16)13-17(21)19(2)15-11-9-14(18)10-12-15/h9-12,16H,3-8,13,18H2,1-2H3
InChIKeyPOVYIFAFSBEQRL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.89
Rot. Bonds5

About N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide

N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide (PubChem CID 43375625) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide
PubChem CID43375625
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)c1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-3-20(16-7-5-4-6-8-16)13-17(21)19(2)15-11-9-14(18)10-12-15/h9-12,16H,3-8,13,18H2,1-2H3
InChIKeyPOVYIFAFSBEQRL-UHFFFAOYSA-N
XLogP2.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
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)-2-[cyclohexyl(ethyl)amino]-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

N-(4-aminophenyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545498
N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide
CID 63630843
2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833811
N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82733451
N-(4-aminophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-methylacetamide
CID 43648422
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
CID 43375898
N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 43375666
4-[3-[cyclohexyl(ethyl)amino]propyl]aniline
CID 115341723
1-cyclohexyl-2-[cyclopentyl(ethyl)amino]ethanone
CID 104750031
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide (CID 43375625) is N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide is CCN(CC(=O)N(C)c1ccc(N)cc1)C1CCCCC1.
What is the InChIKey of N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide?
The InChIKey is POVYIFAFSBEQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(16-7-5-4-6-8-16)13-17(21)19(2)15-11-9-14(18)10-12-15/h9-12,16H,3-8,13,18H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide?
N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide is sourced from PubChem (CID 43375625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).