N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

C18H25NO3 — CID 1122315

IUPACN-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCC2CCCCC2)cc1OC
InChIInChI=1S/C18H25NO3/c1-21-16-10-8-14(12-17(16)22-2)9-11-18(20)19-13-15-6-4-3-5-7-15/h8-12,15H,3-7,13H2,1-2H3,(H,19,20)
InChIKeyWPJCJLVNILXPTH-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.41
Rot. Bonds6

About N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 1122315) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID1122315
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCC2CCCCC2)cc1OC
InChIInChI=1S/C18H25NO3/c1-21-16-10-8-14(12-17(16)22-2)9-11-18(20)19-13-15-6-4-3-5-7-15/h8-12,15H,3-7,13H2,1-2H3,(H,19,20)
InChIKeyWPJCJLVNILXPTH-UHFFFAOYSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767558
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide
CID 6981079
(E)-3-(3,4-dimethoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 121109116
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19171796
3-(3,4-dimethoxyphenyl)-N-[[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]prop-2-enamide
CID 71961591
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 28119
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(E)-3-(6,7,8-trimethoxynaphthalen-2-yl)-N-[[4-[[[(E)-3-(6,7,8-trimethoxynaphthalen-2-yl)prop-2-enoyl]amino]methyl]cyclohexyl]methyl]prop-2-enamide
CID 18518196
(E)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)prop-2-enamide
CID 108935511
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 1122315) is N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)NCC2CCCCC2)cc1OC.
What is the InChIKey of N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is WPJCJLVNILXPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-21-16-10-8-14(12-17(16)22-2)9-11-18(20)19-13-15-6-4-3-5-7-15/h8-12,15H,3-7,13H2,1-2H3,(H,19,20).
What are the key properties of N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 303.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1122315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).