(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide

C18H26N2O — CID 115344642

IUPAC(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(N)cc1)C1CCC(C)(C)CC1
InChIInChI=1S/C18H26N2O/c1-18(2)12-10-16(11-13-18)20(3)17(21)9-6-14-4-7-15(19)8-5-14/h4-9,16H,10-13,19H2,1-3H3/b9-6+
InChIKeyNNCKBDQDFSKKEJ-RMKNXTFCSA-N
MW286.42 g/mol
LogP3.71
Rot. Bonds3

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

(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide (PubChem CID 115344642) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide
PubChem CID115344642
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(N)cc1)C1CCC(C)(C)CC1
InChIInChI=1S/C18H26N2O/c1-18(2)12-10-16(11-13-18)20(3)17(21)9-6-14-4-7-15(19)8-5-14/h4-9,16H,10-13,19H2,1-3H3/b9-6+
InChIKeyNNCKBDQDFSKKEJ-RMKNXTFCSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide
CID 115343447
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470
(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-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide
CID 115342972
(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide
CID 115342926
(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 17468520
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
CID 115343896
(E)-3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylprop-2-enamide
CID 115343797
(E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide
CID 102861644
(E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide
CID 115343333
(E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
CID 82738879

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide (CID 115344642) is (E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide is CN(C(=O)/C=C/c1ccc(N)cc1)C1CCC(C)(C)CC1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide?
The InChIKey is NNCKBDQDFSKKEJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2)12-10-16(11-13-18)20(3)17(21)9-6-14-4-7-15(19)8-5-14/h4-9,16H,10-13,19H2,1-3H3/b9-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide?
(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide has a molecular weight of 286.42 g/mol, XLogP of 3.71, 3 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-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide is sourced from PubChem (CID 115344642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).