(E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide

C19H27NO3 — CID 55564274

IUPAC(E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N(C)CC2CCCCC2)cc(OC)c1
InChIInChI=1S/C19H27NO3/c1-20(14-15-7-5-4-6-8-15)19(21)10-9-16-11-17(22-2)13-18(12-16)23-3/h9-13,15H,4-8,14H2,1-3H3/b10-9+
InChIKeyOYMMVVCDPSRDJZ-MDZDMXLPSA-N
MW317.43 g/mol
LogP3.76
Rot. Bonds6

About (E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide

(E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide (PubChem CID 55564274) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide
PubChem CID55564274
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N(C)CC2CCCCC2)cc(OC)c1
InChIInChI=1S/C19H27NO3/c1-20(14-15-7-5-4-6-8-15)19(21)10-9-16-11-17(22-2)13-18(12-16)23-3/h9-13,15H,4-8,14H2,1-3H3/b10-9+
InChIKeyOYMMVVCDPSRDJZ-MDZDMXLPSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.76
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

cyclohexyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 52540229
(2E,4E)-N-methyl-N-[[4-[[methyl-[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]methyl]cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 18518210
(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 55468763
(E)-N-(1-cyanopropan-2-yl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 56825639
(E)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 18090254
(E)-N-[(2-bromophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 39995953
2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
2-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-(oxan-4-yl)amino]acetic acid
CID 129009136
2-[[(Z)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-(oxan-4-yl)amino]acetic acid
CID 132968436
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665694

Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide (CID 55564274) is (E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide is COc1cc(/C=C/C(=O)N(C)CC2CCCCC2)cc(OC)c1.
What is the InChIKey of (E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is OYMMVVCDPSRDJZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H27NO3/c1-20(14-15-7-5-4-6-8-15)19(21)10-9-16-11-17(22-2)13-18(12-16)23-3/h9-13,15H,4-8,14H2,1-3H3/b10-9+.
What are the key properties of (E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide?
(E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 317.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclohexylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 55564274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).