2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide

C17H26N2O — CID 43724151

IUPAC2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
SMILESCC1CC(Nc2ccc(CC(N)=O)cc2)CC(C)(C)C1
InChIInChI=1S/C17H26N2O/c1-12-8-15(11-17(2,3)10-12)19-14-6-4-13(5-7-14)9-16(18)20/h4-7,12,15,19H,8-11H2,1-3H3,(H2,18,20)
InChIKeyCLTJFRBFWCYGOD-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.34
Rot. Bonds4

About 2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide

2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide (PubChem CID 43724151) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
PubChem CID43724151
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
SMILESCC1CC(Nc2ccc(CC(N)=O)cc2)CC(C)(C)C1
InChIInChI=1S/C17H26N2O/c1-12-8-15(11-17(2,3)10-12)19-14-6-4-13(5-7-14)9-16(18)20/h4-7,12,15,19H,8-11H2,1-3H3,(H2,18,20)
InChIKeyCLTJFRBFWCYGOD-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide
CID 115998763
N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide
CID 43681991
2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 831549
2-[3-amino-4-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]phenyl]acetic acid
CID 118310740
methyl 2-chloro-5-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43672724
4-pyrrolidin-1-yl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43732195
ethyl 3-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43321933
N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
CID 43739606
N'-(3,3,5-trimethylcyclohexyl)butanediamide
CID 121317359
N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43097568
4-chloro-3-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43721505
4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63456101

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide?
The IUPAC name of 2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide (CID 43724151) is 2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide is CC1CC(Nc2ccc(CC(N)=O)cc2)CC(C)(C)C1.
What is the InChIKey of 2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide?
The InChIKey is CLTJFRBFWCYGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-15(11-17(2,3)10-12)19-14-6-4-13(5-7-14)9-16(18)20/h4-7,12,15,19H,8-11H2,1-3H3,(H2,18,20).
What are the key properties of 2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide?
2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide is sourced from PubChem (CID 43724151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).