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

C18H28N2O — CID 43739606

IUPACN-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC2CC(C)CC(C)(C)C2)c1
InChIInChI=1S/C18H28N2O/c1-12-8-16(11-18(4,5)10-12)20-17-9-15(19-14(3)21)7-6-13(17)2/h6-7,9,12,16,20H,8,10-11H2,1-5H3,(H,19,21)
InChIKeyKRUCAMBJKRSDTP-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.58
Rot. Bonds3

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

N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide (PubChem CID 43739606) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
PubChem CID43739606
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC2CC(C)CC(C)(C)C2)c1
InChIInChI=1S/C18H28N2O/c1-12-8-16(11-18(4,5)10-12)20-17-9-15(19-14(3)21)7-6-13(17)2/h6-7,9,12,16,20H,8,10-11H2,1-5H3,(H,19,21)
InChIKeyKRUCAMBJKRSDTP-UHFFFAOYSA-N
XLogP4.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide
CID 80561000
2-methyl-5-methylsulfonyl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43685145
4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63456101
N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide
CID 54981288
N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide
CID 63162861
[5-amino-2-methyl-4-[(3,3,5-trimethylcyclohexyl)amino]phenyl] acetate
CID 175168816
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[3-[[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoylamino]phenyl]urea
CID 27235182
methyl 5-amino-2-methyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 118311068
methyl 5-amino-2-methyl-4-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]benzoate;methyl 5-amino-2-methyl-4-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]benzoate
CID 160757381
N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide
CID 43681991
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342
methyl 2-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43321992

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide (CID 43739606) is N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide is CC(=O)Nc1ccc(C)c(NC2CC(C)CC(C)(C)C2)c1.
What is the InChIKey of N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide?
The InChIKey is KRUCAMBJKRSDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-8-16(11-18(4,5)10-12)20-17-9-15(19-14(3)21)7-6-13(17)2/h6-7,9,12,16,20H,8,10-11H2,1-5H3,(H,19,21).
What are the key properties of N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide?
N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide is sourced from PubChem (CID 43739606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).