(E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide

C18H22N2O2 — CID 46542781

IUPAC(E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(OCC#N)cc1)C1CCCCC1
InChIInChI=1S/C18H22N2O2/c1-20(16-5-3-2-4-6-16)18(21)12-9-15-7-10-17(11-8-15)22-14-13-19/h7-12,16H,2-6,14H2,1H3/b12-9+
InChIKeyPQYUQXPQNSASGR-FMIVXFBMSA-N
MW298.39 g/mol
LogP3.39
Rot. Bonds5

About (E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide

(E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide (PubChem CID 46542781) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide
PubChem CID46542781
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(OCC#N)cc1)C1CCCCC1
InChIInChI=1S/C18H22N2O2/c1-20(16-5-3-2-4-6-16)18(21)12-9-15-7-10-17(11-8-15)22-14-13-19/h7-12,16H,2-6,14H2,1H3/b12-9+
InChIKeyPQYUQXPQNSASGR-FMIVXFBMSA-N
XLogP3.39
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470
2-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile
CID 75458959
3-[4-(cyanomethoxy)phenyl]-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111471057
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 17468520
(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 55468763
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 890681
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylprop-2-enamide
CID 78775883
2-[4-[(E)-3-oxo-3-(4-propoxyphenyl)prop-1-enyl]phenoxy]acetonitrile
CID 9034627

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide (CID 46542781) is (E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide is CN(C(=O)/C=C/c1ccc(OCC#N)cc1)C1CCCCC1.
What is the InChIKey of (E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide?
The InChIKey is PQYUQXPQNSASGR-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20(16-5-3-2-4-6-16)18(21)12-9-15-7-10-17(11-8-15)22-14-13-19/h7-12,16H,2-6,14H2,1H3/b12-9+.
What are the key properties of (E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide?
(E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide has a molecular weight of 298.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide is sourced from PubChem (CID 46542781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).