3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide

C17H26N2O — CID 114480123

IUPAC3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNCC1CCCCC1C
InChIInChI=1S/C17H26N2O/c1-12-5-3-4-6-15(12)10-19-11-16-8-7-14(17(18)20)9-13(16)2/h7-9,12,15,19H,3-6,10-11H2,1-2H3,(H2,18,20)
InChIKeyPEELJIKIBAUBPU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.01
Rot. Bonds5

About 3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide

3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide (PubChem CID 114480123) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
PubChem CID114480123
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNCC1CCCCC1C
InChIInChI=1S/C17H26N2O/c1-12-5-3-4-6-15(12)10-19-11-16-8-7-14(17(18)20)9-13(16)2/h7-9,12,15,19H,3-6,10-11H2,1-2H3,(H2,18,20)
InChIKeyPEELJIKIBAUBPU-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide
CID 114480437
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid
CID 107453491
4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol
CID 55013705
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide
CID 114480343
4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide
CID 114480489
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
CID 114480710
4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide
CID 114110930
3-chloro-N'-hydroxy-4-[[(2-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide
CID 107418885
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide?
The IUPAC name of 3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide (CID 114480123) is 3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide is Cc1cc(C(N)=O)ccc1CNCC1CCCCC1C.
What is the InChIKey of 3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide?
The InChIKey is PEELJIKIBAUBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-5-3-4-6-15(12)10-19-11-16-8-7-14(17(18)20)9-13(16)2/h7-9,12,15,19H,3-6,10-11H2,1-2H3,(H2,18,20).
What are the key properties of 3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide?
3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide has a molecular weight of 274.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide is sourced from PubChem (CID 114480123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).