4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide

C17H26N2O — CID 114480409

IUPAC4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide
SMILESCCC1CCCC(NCc2ccc(C(N)=O)cc2C)C1
InChIInChI=1S/C17H26N2O/c1-3-13-5-4-6-16(10-13)19-11-15-8-7-14(17(18)20)9-12(15)2/h7-9,13,16,19H,3-6,10-11H2,1-2H3,(H2,18,20)
InChIKeyWCAYVVULPFFWPE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.15
Rot. Bonds5

About 4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide

4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide (PubChem CID 114480409) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide
PubChem CID114480409
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide
SMILESCCC1CCCC(NCc2ccc(C(N)=O)cc2C)C1
InChIInChI=1S/C17H26N2O/c1-3-13-5-4-6-16(10-13)19-11-15-8-7-14(17(18)20)9-12(15)2/h7-9,13,16,19H,3-6,10-11H2,1-2H3,(H2,18,20)
InChIKeyWCAYVVULPFFWPE-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide
CID 114480489
4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzonitrile
CID 114480408
methyl 2-[[(3-ethylcyclohexyl)amino]methyl]benzoate
CID 64741423
4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43317879
3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 63043343
4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482642
4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide
CID 114110930
4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 64742198
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide
CID 114503397
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-3-methylbenzamide
CID 114480105
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide (CID 114480409) is 4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide is CCC1CCCC(NCc2ccc(C(N)=O)cc2C)C1.
What is the InChIKey of 4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide?
The InChIKey is WCAYVVULPFFWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-13-5-4-6-16(10-13)19-11-15-8-7-14(17(18)20)9-12(15)2/h7-9,13,16,19H,3-6,10-11H2,1-2H3,(H2,18,20).
What are the key properties of 4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide?
4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114480409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).