(E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide

C17H22BrNO2 — CID 1189186

IUPAC(E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C)C2CCCCC2)cc1Br
InChIInChI=1S/C17H22BrNO2/c1-19(14-6-4-3-5-7-14)17(20)11-9-13-8-10-16(21-2)15(18)12-13/h8-12,14H,3-7H2,1-2H3/b11-9+
InChIKeyQUFAEOKVZMDGFX-PKNBQFBNSA-N
MW352.27 g/mol
LogP4.26
Rot. Bonds4

About (E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide

(E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide (PubChem CID 1189186) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is (E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide
PubChem CID1189186
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name(E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C)C2CCCCC2)cc1Br
InChIInChI=1S/C17H22BrNO2/c1-19(14-6-4-3-5-7-14)17(20)11-9-13-8-10-16(21-2)15(18)12-13/h8-12,14H,3-7H2,1-2H3/b11-9+
InChIKeyQUFAEOKVZMDGFX-PKNBQFBNSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide with MolForge

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Related Compounds

Psammaplysene D
CID 24179853
(E)-N,N-dicyclohexyl-3-(4-methoxy-phenyl)-acrylamide
CID 5853474
Psammaplysene C
CID 24179740
Ianthelliformisamine A
CID 59051760
Ianthelliformisamine C
CID 59051762
2-(2-Bromo-4-methylphenoxy)-1-(piperidin-1-yl)ethanone
CID 795328
3-(3-Bromo-4-methoxy-phenyl)-2-cyano-N-cyclohexyl-acrylamide
CID 1124190
3-(3-Bromo-4-methoxyphenyl)-2-(4-morpholinylcarbonyl)acrylonitrile
CID 2256979
(E)-N-[3-[bis(3-aminopropyl)amino]propyl]-3-(3,5-dibromo-4-methoxyphenyl)prop-2-enamide
CID 86765244
(E)-N-[3-(4-aminobutylamino)propyl]-3-(3,5-dibromo-4-methoxyphenyl)prop-2-enamide;dihydrochloride
CID 90676107
(2E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 890681
(2E,4E)-5-(4-methoxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 12403944

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide (CID 1189186) is (E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide is COc1ccc(/C=C/C(=O)N(C)C2CCCCC2)cc1Br.
What is the InChIKey of (E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide?
The InChIKey is QUFAEOKVZMDGFX-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-19(14-6-4-3-5-7-14)17(20)11-9-13-8-10-16(21-2)15(18)12-13/h8-12,14H,3-7H2,1-2H3/b11-9+.
What are the key properties of (E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide?
(E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide has a molecular weight of 352.27 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide is sourced from PubChem (CID 1189186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).