2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide

C22H25NO2 — CID 18009445

IUPAC2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
SMILESC=C1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C22H25NO2/c1-17-12-14-22(15-13-17,18-8-4-3-5-9-18)16-23-21(24)19-10-6-7-11-20(19)25-2/h3-11H,1,12-16H2,2H3,(H,23,24)
InChIKeyYCLVZXPLTFYKMX-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.49
Rot. Bonds5

About 2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide

2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide (PubChem CID 18009445) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
PubChem CID18009445
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
SMILESC=C1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C22H25NO2/c1-17-12-14-22(15-13-17,18-8-4-3-5-9-18)16-23-21(24)19-10-6-7-11-20(19)25-2/h3-11H,1,12-16H2,2H3,(H,23,24)
InChIKeyYCLVZXPLTFYKMX-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 20596215
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline
CID 142271382
2-methoxy-N-[[4-(2-oxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]benzamide
CID 58842622
prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]-N-methylcarbamate
CID 18009457
2-methoxy-N-[2-(1-phenylcyclohexyl)ethyl]benzamide
CID 18449642
[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate
CID 54173169
prop-2-enyl N-[1-cyano-4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate
CID 18009450
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(4-methoxybutyl)carbamate
CID 20596159
N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide (CID 18009445) is 2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide is C=C1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of 2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide?
The InChIKey is YCLVZXPLTFYKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-17-12-14-22(15-13-17,18-8-4-3-5-9-18)16-23-21(24)19-10-6-7-11-20(19)25-2/h3-11H,1,12-16H2,2H3,(H,23,24).
What are the key properties of 2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide?
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide has a molecular weight of 335.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 18009445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).