2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide

C22H31NO2 — CID 143301867

IUPAC2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide
SMILESCC(C1CCCCC1)C1CCC(Cc2ccccc2C(N)=O)C(=O)C1
InChIInChI=1S/C22H31NO2/c1-15(16-7-3-2-4-8-16)17-11-12-19(21(24)14-17)13-18-9-5-6-10-20(18)22(23)25/h5-6,9-10,15-17,19H,2-4,7-8,11-14H2,1H3,(H2,23,25)
InChIKeyTWJQYOFSSUZCMV-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.53
Rot. Bonds5

About 2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide

2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide (PubChem CID 143301867) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide
PubChem CID143301867
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide
SMILESCC(C1CCCCC1)C1CCC(Cc2ccccc2C(N)=O)C(=O)C1
InChIInChI=1S/C22H31NO2/c1-15(16-7-3-2-4-8-16)17-11-12-19(21(24)14-17)13-18-9-5-6-10-20(18)22(23)25/h5-6,9-10,15-17,19H,2-4,7-8,11-14H2,1H3,(H2,23,25)
InChIKeyTWJQYOFSSUZCMV-UHFFFAOYSA-N
XLogP4.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-chloro-4-(4-oxo-4-phenylbutyl)phenyl]methyl]-5-(1-cyclohexylethyl)cyclohexan-1-one
CID 143301861
2-[(cyclohexylmethylamino)methyl]benzamide
CID 43371551
2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide
CID 140548089
methyl 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]benzoate
CID 81386969
2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
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2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide
CID 63663722
2-[(1,1-dioxothietan-3-yl)methyl]benzamide
CID 141441544
2-(methanesulfonamidomethyl)benzamide
CID 69038851
2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide
CID 79248915
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81356256
2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide
CID 81386074

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide?
The IUPAC name of 2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide (CID 143301867) is 2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide?
The canonical SMILES for 2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide is CC(C1CCCCC1)C1CCC(Cc2ccccc2C(N)=O)C(=O)C1.
What is the InChIKey of 2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide?
The InChIKey is TWJQYOFSSUZCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-15(16-7-3-2-4-8-16)17-11-12-19(21(24)14-17)13-18-9-5-6-10-20(18)22(23)25/h5-6,9-10,15-17,19H,2-4,7-8,11-14H2,1H3,(H2,23,25).
What are the key properties of 2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide?
2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide has a molecular weight of 341.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-cyclohexylethyl)-2-oxocyclohexyl]methyl]benzamide is sourced from PubChem (CID 143301867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).