N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide

C20H25NO — CID 1206106

IUPACN-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide
SMILESC[C@@H]1C[C@@H](NC(=O)c2cccc3ccccc23)CC(C)(C)C1
InChIInChI=1S/C20H25NO/c1-14-11-16(13-20(2,3)12-14)21-19(22)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,14,16H,11-13H2,1-3H3,(H,21,22)/t14-,16-/m1/s1
InChIKeyZDKDCRRSIYTSKX-GDBMZVCRSA-N
MW295.43 g/mol
LogP4.78
Rot. Bonds2

About N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide

N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide (PubChem CID 1206106) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide
PubChem CID1206106
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide
SMILESC[C@@H]1C[C@@H](NC(=O)c2cccc3ccccc23)CC(C)(C)C1
InChIInChI=1S/C20H25NO/c1-14-11-16(13-20(2,3)12-14)21-19(22)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,14,16H,11-13H2,1-3H3,(H,21,22)/t14-,16-/m1/s1
InChIKeyZDKDCRRSIYTSKX-GDBMZVCRSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide 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

2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 2806551
1-hydroxy-N-(3-methylcyclobutyl)naphthalene-2-carboxamide
CID 115671062
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673817
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[3-[[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoylamino]phenyl]urea
CID 27235182
1-methyl-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]-1,8-naphthyridine-3-carboxamide
CID 7619405
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 39358749
N-(2-aminocyclopropyl)naphthalene-1-carboxamide
CID 43593836
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
2-hydroxy-4-oxo-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 136696100
5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide
CID 4121013
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide (CID 1206106) is N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide is C[C@@H]1C[C@@H](NC(=O)c2cccc3ccccc23)CC(C)(C)C1.
What is the InChIKey of N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide?
The InChIKey is ZDKDCRRSIYTSKX-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H25NO/c1-14-11-16(13-20(2,3)12-14)21-19(22)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,14,16H,11-13H2,1-3H3,(H,21,22)/t14-,16-/m1/s1.
What are the key properties of N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide?
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide is sourced from PubChem (CID 1206106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).