N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide

C11H21NO — CID 162400873

IUPACN-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CCCC[C@H]1C(C)C
InChIInChI=1S/C11H21NO/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h8,10-11H,4-7H2,1-3H3,(H,12,13)/t10-,11-/m0/s1
InChIKeyVVMFXBXQWNVLME-QWRGUYRKSA-N
MW183.29 g/mol
LogP2.34
Rot. Bonds2

About N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide

N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide (PubChem CID 162400873) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide
PubChem CID162400873
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CCCC[C@H]1C(C)C
InChIInChI=1S/C11H21NO/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h8,10-11H,4-7H2,1-3H3,(H,12,13)/t10-,11-/m0/s1
InChIKeyVVMFXBXQWNVLME-QWRGUYRKSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide?
The IUPAC name of N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide (CID 162400873) is N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide is CC(=O)N[C@H]1CCCC[C@H]1C(C)C.
What is the InChIKey of N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide?
The InChIKey is VVMFXBXQWNVLME-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h8,10-11H,4-7H2,1-3H3,(H,12,13)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide?
N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide has a molecular weight of 183.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide is sourced from PubChem (CID 162400873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).