4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide

C18H28N2O — CID 60984984

IUPAC4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide
SMILESCCC1CCC(CNCc2ccc(C(=O)NC)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-3-14-4-6-15(7-5-14)12-20-13-16-8-10-17(11-9-16)18(21)19-2/h8-11,14-15,20H,3-7,12-13H2,1-2H3,(H,19,21)
InChIKeyXCIADLAPABBVCB-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.35
Rot. Bonds6

About 4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide

4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide (PubChem CID 60984984) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide
PubChem CID60984984
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide
SMILESCCC1CCC(CNCc2ccc(C(=O)NC)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-3-14-4-6-15(7-5-14)12-20-13-16-8-10-17(11-9-16)18(21)19-2/h8-11,14-15,20H,3-7,12-13H2,1-2H3,(H,19,21)
InChIKeyXCIADLAPABBVCB-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide
CID 54949437
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
methyl 4-[[(4-methylcyclohexyl)methylamino]methyl]benzoate
CID 63243065
4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 55141226
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
5-[[[4-(methylcarbamoyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
CID 63316587
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
CID 174857997
4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide
CID 64922349
4-[(cyclooctylmethylamino)methyl]benzoic acid
CID 122030513
1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63451508

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide (CID 60984984) is 4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide is CCC1CCC(CNCc2ccc(C(=O)NC)cc2)CC1.
What is the InChIKey of 4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide?
The InChIKey is XCIADLAPABBVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-14-4-6-15(7-5-14)12-20-13-16-8-10-17(11-9-16)18(21)19-2/h8-11,14-15,20H,3-7,12-13H2,1-2H3,(H,19,21).
What are the key properties of 4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide?
4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 60984984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).