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

C17H24N2O — CID 115344222

IUPAC(E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide
SMILESCC1CCC(NC(=O)/C=C/c2ccc(N)cc2)C(C)C1
InChIInChI=1S/C17H24N2O/c1-12-3-9-16(13(2)11-12)19-17(20)10-6-14-4-7-15(18)8-5-14/h4-8,10,12-13,16H,3,9,11,18H2,1-2H3,(H,19,20)/b10-6+
InChIKeyICFXUPOPRMOTLF-UXBLZVDNSA-N
MW272.39 g/mol
LogP3.22
Rot. Bonds3

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

(E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide (PubChem CID 115344222) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide
PubChem CID115344222
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide
SMILESCC1CCC(NC(=O)/C=C/c2ccc(N)cc2)C(C)C1
InChIInChI=1S/C17H24N2O/c1-12-3-9-16(13(2)11-12)19-17(20)10-6-14-4-7-15(18)8-5-14/h4-8,10,12-13,16H,3,9,11,18H2,1-2H3,(H,19,20)/b10-6+
InChIKeyICFXUPOPRMOTLF-UXBLZVDNSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
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

LY 188544
CID 126157
4-amino-N-cyclohexylbenzamide
CID 679480
Iferanserin
CID 6445539
N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 942741
N-(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-m-tolyl-ethyl)-acetamide
CID 1453546
4-Amino-N-(1-methyl-2-phenyl-ethyl)-benzamide
CID 2845137
6,8-Dimethyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176405
3-(ethylaminomethyl)-6-methyl-1H-quinolin-2-one
CID 663640
3-[(tert-butylamino)methyl]-6-methylquinolin-2(1H)-one
CID 664957
N-(2,4-dimethylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]acetamide
CID 943470
Fepratset
CID 165035
4-amino-3-methyl-N-(propan-2-yl)benzamide
CID 16773446

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide (CID 115344222) is (E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide is CC1CCC(NC(=O)/C=C/c2ccc(N)cc2)C(C)C1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide?
The InChIKey is ICFXUPOPRMOTLF-UXBLZVDNSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-3-9-16(13(2)11-12)19-17(20)10-6-14-4-7-15(18)8-5-14/h4-8,10,12-13,16H,3,9,11,18H2,1-2H3,(H,19,20)/b10-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide has a molecular weight of 272.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 115344222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).