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

C17H23NO2 — CID 4923225

IUPACN-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-18(15-6-4-3-5-7-15)17(19)13-10-14-8-11-16(20-2)12-9-14/h8-13,15H,3-7H2,1-2H3
InChIKeyXYRZCPQDKJODDC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.50
Rot. Bonds4

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

N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 4923225) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID4923225
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-18(15-6-4-3-5-7-15)17(19)13-10-14-8-11-16(20-2)12-9-14/h8-13,15H,3-7H2,1-2H3
InChIKeyXYRZCPQDKJODDC-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 55468763
(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 890681
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470
(E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide
CID 46542781
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(E)-3-(1,3-benzodioxol-5-yl)-N-cycloheptyl-N-methylprop-2-enamide
CID 51287153
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclohexyl-N-methylprop-2-enamide
CID 55334511
(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 17468520
3-(3-bromophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 3285208
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide
CID 115344642

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide (CID 4923225) is N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide is COc1ccc(C=CC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is XYRZCPQDKJODDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18(15-6-4-3-5-7-15)17(19)13-10-14-8-11-16(20-2)12-9-14/h8-13,15H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 273.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 4923225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).