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

C16H24N2O — CID 47129854

IUPAC4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
SMILESCC1CCC(N(C)Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-12-3-9-15(10-4-12)18(2)11-13-5-7-14(8-6-13)16(17)19/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,17,19)
InChIKeyUPBDQNBPIWPYGE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.80
Rot. Bonds4

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

4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide (PubChem CID 47129854) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
PubChem CID47129854
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
SMILESCC1CCC(N(C)Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-12-3-9-15(10-4-12)18(2)11-13-5-7-14(8-6-13)16(17)19/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,17,19)
InChIKeyUPBDQNBPIWPYGE-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide?
The IUPAC name of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide (CID 47129854) is 4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide is CC1CCC(N(C)Cc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide?
The InChIKey is UPBDQNBPIWPYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-3-9-15(10-4-12)18(2)11-13-5-7-14(8-6-13)16(17)19/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,17,19).
What are the key properties of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide?
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide has a molecular weight of 260.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide is sourced from PubChem (CID 47129854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).