3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide

C23H30N2O — CID 59316454

IUPAC3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc(CNC2CCC(C)(C)CC2)cc1
InChIInChI=1S/C23H30N2O/c1-16-4-7-19(22(24)26)14-21(16)18-8-5-17(6-9-18)15-25-20-10-12-23(2,3)13-11-20/h4-9,14,20,25H,10-13,15H2,1-3H3,(H2,24,26)
InChIKeyBQJFWVHRAYVSDC-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.82
Rot. Bonds5

About 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide

3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide (PubChem CID 59316454) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide
PubChem CID59316454
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc(CNC2CCC(C)(C)CC2)cc1
InChIInChI=1S/C23H30N2O/c1-16-4-7-19(22(24)26)14-21(16)18-8-5-17(6-9-18)15-25-20-10-12-23(2,3)13-11-20/h4-9,14,20,25H,10-13,15H2,1-3H3,(H2,24,26)
InChIKeyBQJFWVHRAYVSDC-UHFFFAOYSA-N
XLogP4.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide?
The IUPAC name of 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide (CID 59316454) is 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide is Cc1ccc(C(N)=O)cc1-c1ccc(CNC2CCC(C)(C)CC2)cc1.
What is the InChIKey of 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide?
The InChIKey is BQJFWVHRAYVSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-16-4-7-19(22(24)26)14-21(16)18-8-5-17(6-9-18)15-25-20-10-12-23(2,3)13-11-20/h4-9,14,20,25H,10-13,15H2,1-3H3,(H2,24,26).
What are the key properties of 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide?
3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide has a molecular weight of 350.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 59316454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).