3-[(2,4,4-trimethylcyclohexyl)amino]benzamide

C16H24N2O — CID 81321097

IUPAC3-[(2,4,4-trimethylcyclohexyl)amino]benzamide
SMILESCC1CC(C)(C)CCC1Nc1cccc(C(N)=O)c1
InChIInChI=1S/C16H24N2O/c1-11-10-16(2,3)8-7-14(11)18-13-6-4-5-12(9-13)15(17)19/h4-6,9,11,14,18H,7-8,10H2,1-3H3,(H2,17,19)
InChIKeyFAIPABHBSZIVLK-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.41
Rot. Bonds3

About 3-[(2,4,4-trimethylcyclohexyl)amino]benzamide

3-[(2,4,4-trimethylcyclohexyl)amino]benzamide (PubChem CID 81321097) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[(2,4,4-trimethylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name3-[(2,4,4-trimethylcyclohexyl)amino]benzamide
PubChem CID81321097
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[(2,4,4-trimethylcyclohexyl)amino]benzamide
SMILESCC1CC(C)(C)CCC1Nc1cccc(C(N)=O)c1
InChIInChI=1S/C16H24N2O/c1-11-10-16(2,3)8-7-14(11)18-13-6-4-5-12(9-13)15(17)19/h4-6,9,11,14,18H,7-8,10H2,1-3H3,(H2,17,19)
InChIKeyFAIPABHBSZIVLK-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,3-dimethylcyclopentyl)amino]benzamide
CID 80693382
2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide
CID 81302858
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
N,N-dimethyl-4-[(2,4,4-trimethylcyclohexyl)amino]benzamide
CID 81302611
3-[(2,6-dimethylcyclohexyl)amino]benzamide
CID 43202843
5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide
CID 43206245
2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzoic acid
CID 81320631
4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321095
4-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321658
3-[(4,4-dimethylthian-3-yl)amino]benzamide
CID 79952112
3-chloro-4-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 82865048
4-chloro-3-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321504

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,4-trimethylcyclohexyl)amino]benzamide?
The IUPAC name of 3-[(2,4,4-trimethylcyclohexyl)amino]benzamide (CID 81321097) is 3-[(2,4,4-trimethylcyclohexyl)amino]benzamide.
What is the SMILES notation for 3-[(2,4,4-trimethylcyclohexyl)amino]benzamide?
The canonical SMILES for 3-[(2,4,4-trimethylcyclohexyl)amino]benzamide is CC1CC(C)(C)CCC1Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(2,4,4-trimethylcyclohexyl)amino]benzamide?
The InChIKey is FAIPABHBSZIVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-10-16(2,3)8-7-14(11)18-13-6-4-5-12(9-13)15(17)19/h4-6,9,11,14,18H,7-8,10H2,1-3H3,(H2,17,19).
What are the key properties of 3-[(2,4,4-trimethylcyclohexyl)amino]benzamide?
3-[(2,4,4-trimethylcyclohexyl)amino]benzamide has a molecular weight of 260.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,4-trimethylcyclohexyl)amino]benzamide is sourced from PubChem (CID 81321097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).