N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide

C23H29NO2 — CID 142271522

IUPACN-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
SMILESCCC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c1-3-18-13-15-23(16-14-18,19-9-5-4-6-10-19)17-24-22(25)20-11-7-8-12-21(20)26-2/h4-12,18H,3,13-17H2,1-2H3,(H,24,25)
InChIKeyMVFDUWTWYSMNLX-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.96
Rot. Bonds6

About N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide

N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide (PubChem CID 142271522) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
PubChem CID142271522
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
SMILESCCC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c1-3-18-13-15-23(16-14-18,19-9-5-4-6-10-19)17-24-22(25)20-11-7-8-12-21(20)26-2/h4-12,18H,3,13-17H2,1-2H3,(H,24,25)
InChIKeyMVFDUWTWYSMNLX-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
N-[[4-(4-ethyl-2,5-dioxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842307
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
2-methoxy-N-[[4-(2-oxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]benzamide
CID 58842622
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(4-methoxybutyl)carbamate
CID 20596159
propan-2-yl N-[2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]ethyl]carbamate
CID 20596182
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate
CID 54069418
2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide
CID 70829537
N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 69415673
2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842388
2-methoxy-N-[[4-(methylamino)-1-phenylcyclohexyl]methyl]benzamide;2-methoxy-N-[[4-(methylsulfonylcarbamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 157499137

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide (CID 142271522) is N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide is CCC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
The InChIKey is MVFDUWTWYSMNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-18-13-15-23(16-14-18,19-9-5-4-6-10-19)17-24-22(25)20-11-7-8-12-21(20)26-2/h4-12,18H,3,13-17H2,1-2H3,(H,24,25).
What are the key properties of N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide?
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide has a molecular weight of 351.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 142271522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).