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

C21H23NO — CID 20596215

IUPACN-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
SMILESC=C1CCC(CNC(=O)c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C21H23NO/c1-17-12-14-21(15-13-17,19-10-6-3-7-11-19)16-22-20(23)18-8-4-2-5-9-18/h2-11H,1,12-16H2,(H,22,23)
InChIKeyCKJADZFSAYGGBT-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.48
Rot. Bonds4

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

N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide (PubChem CID 20596215) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
PubChem CID20596215
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
SMILESC=C1CCC(CNC(=O)c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C21H23NO/c1-17-12-14-21(15-13-17,19-10-6-3-7-11-19)16-22-20(23)18-8-4-2-5-9-18/h2-11H,1,12-16H2,(H,22,23)
InChIKeyCKJADZFSAYGGBT-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
methyl 2-[4-(benzamidomethyl)-4-phenylcyclohexylidene]acetate
CID 20596185
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzamide
CID 20694800
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
CID 20978143
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide?
The IUPAC name of N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide (CID 20596215) is N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide.
What is the SMILES notation for N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide?
The canonical SMILES for N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide is C=C1CCC(CNC(=O)c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide?
The InChIKey is CKJADZFSAYGGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-17-12-14-21(15-13-17,19-10-6-3-7-11-19)16-22-20(23)18-8-4-2-5-9-18/h2-11H,1,12-16H2,(H,22,23).
What are the key properties of N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide?
N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide has a molecular weight of 305.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 20596215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).