4-[[(4-methylcyclohexyl)amino]methyl]benzamide

C15H22N2O — CID 28579759

IUPAC4-[[(4-methylcyclohexyl)amino]methyl]benzamide
SMILESCC1CCC(NCc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H22N2O/c1-11-2-8-14(9-3-11)17-10-12-4-6-13(7-5-12)15(16)18/h4-7,11,14,17H,2-3,8-10H2,1H3,(H2,16,18)
InChIKeyYSDLELSWPRAONN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.45
Rot. Bonds4

About 4-[[(4-methylcyclohexyl)amino]methyl]benzamide

4-[[(4-methylcyclohexyl)amino]methyl]benzamide (PubChem CID 28579759) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[[(4-methylcyclohexyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-methylcyclohexyl)amino]methyl]benzamide
PubChem CID28579759
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[[(4-methylcyclohexyl)amino]methyl]benzamide
SMILESCC1CCC(NCc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H22N2O/c1-11-2-8-14(9-3-11)17-10-12-4-6-13(7-5-12)15(16)18/h4-7,11,14,17H,2-3,8-10H2,1H3,(H2,16,18)
InChIKeyYSDLELSWPRAONN-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide
CID 60932416
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide
CID 119107058
4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide
CID 61223755
4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 62215760
4-[(E)-4-[4-[(cyclopropylamino)methyl]phenyl]but-3-en-1-ynyl]benzamide
CID 141228030
4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026385
4-[[(4-cyclopropylcyclohexyl)amino]methyl]benzoic acid
CID 22501789
4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide
CID 54870661

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methylcyclohexyl)amino]methyl]benzamide?
The IUPAC name of 4-[[(4-methylcyclohexyl)amino]methyl]benzamide (CID 28579759) is 4-[[(4-methylcyclohexyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(4-methylcyclohexyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(4-methylcyclohexyl)amino]methyl]benzamide is CC1CCC(NCc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[[(4-methylcyclohexyl)amino]methyl]benzamide?
The InChIKey is YSDLELSWPRAONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-2-8-14(9-3-11)17-10-12-4-6-13(7-5-12)15(16)18/h4-7,11,14,17H,2-3,8-10H2,1H3,(H2,16,18).
What are the key properties of 4-[[(4-methylcyclohexyl)amino]methyl]benzamide?
4-[[(4-methylcyclohexyl)amino]methyl]benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methylcyclohexyl)amino]methyl]benzamide is sourced from PubChem (CID 28579759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).