(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide

C18H26N2O — CID 115343447

IUPAC(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide
SMILESCCC1CCC(N(C)C(=O)/C=C/c2ccc(N)cc2)CC1
InChIInChI=1S/C18H26N2O/c1-3-14-6-11-17(12-7-14)20(2)18(21)13-8-15-4-9-16(19)10-5-15/h4-5,8-10,13-14,17H,3,6-7,11-12,19H2,1-2H3/b13-8+
InChIKeyAQWYVZNVNDXJFL-MDWZMJQESA-N
MW286.42 g/mol
LogP3.71
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide

(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide (PubChem CID 115343447) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide
PubChem CID115343447
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide
SMILESCCC1CCC(N(C)C(=O)/C=C/c2ccc(N)cc2)CC1
InChIInChI=1S/C18H26N2O/c1-3-14-6-11-17(12-7-14)20(2)18(21)13-8-15-4-9-16(19)10-5-15/h4-5,8-10,13-14,17H,3,6-7,11-12,19H2,1-2H3/b13-8+
InChIKeyAQWYVZNVNDXJFL-MDWZMJQESA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide 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

(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide
CID 115344642
(E)-3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylprop-2-enamide
CID 115343797
(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide
CID 115342926
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
CID 115343896
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470
(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 17468520
(E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide
CID 115342972
4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide
CID 119733265
(E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide
CID 113475584
(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
(E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide
CID 115343333

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide (CID 115343447) is (E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide is CCC1CCC(N(C)C(=O)/C=C/c2ccc(N)cc2)CC1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide?
The InChIKey is AQWYVZNVNDXJFL-MDWZMJQESA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-14-6-11-17(12-7-14)20(2)18(21)13-8-15-4-9-16(19)10-5-15/h4-5,8-10,13-14,17H,3,6-7,11-12,19H2,1-2H3/b13-8+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide?
(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide has a molecular weight of 286.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide is sourced from PubChem (CID 115343447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).