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

C11H21NO — CID 67074228

IUPACN-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1
InChIInChI=1S/C11H21NO/c1-8-5-10(12-9(2)13)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3,(H,12,13)/t8-,10-/m1/s1
InChIKeyNEEGPDFDTZHLLU-PSASIEDQSA-N
MW183.29 g/mol
LogP2.34
Rot. Bonds1

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

N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide (PubChem CID 67074228) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
PubChem CID67074228
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1
InChIInChI=1S/C11H21NO/c1-8-5-10(12-9(2)13)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3,(H,12,13)/t8-,10-/m1/s1
InChIKeyNEEGPDFDTZHLLU-PSASIEDQSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R,5S)-3,3,5-trimethylcyclohexyl]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-(5-acetamido-3,3-dimethylcyclohexyl)acetamide
CID 23292846
(1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
CID 6571789
(1S)-2,2-dibromo-1-methyl-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
CID 51405048
(1R)-2,2-dibromo-1-methyl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
CID 27520887
N-(3,3,6,6-tetramethylcycloheptyl)acetamide
CID 142825671
N'-(3,3,5-trimethylcyclohexyl)butanediamide
CID 121317359
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[6-[[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoylamino]hexyl]urea
CID 25406909
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[6-[[(1R,5R)-3,3,5-trimethylcyclohexyl]carbamoylamino]hexyl]urea
CID 25406912
N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
cis-(1R,2S)-2-[[(1S,5S)-3,3,5-trimethylcyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124714504
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 2806551

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide?
The IUPAC name of N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide (CID 67074228) is N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide?
The canonical SMILES for N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide is CC(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1.
What is the InChIKey of N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide?
The InChIKey is NEEGPDFDTZHLLU-PSASIEDQSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-5-10(12-9(2)13)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3,(H,12,13)/t8-,10-/m1/s1.
What are the key properties of N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide?
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide has a molecular weight of 183.29 g/mol, XLogP of 2.34, 1 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]acetamide is sourced from PubChem (CID 67074228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).