N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide

C14H19NOSe — CID 12635005

IUPACN-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CCCC[C@@H]1[Se]c1ccccc1
InChIInChI=1S/C14H19NOSe/c1-11(16)15-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,15,16)/t13-,14-/m0/s1
InChIKeyOVKIQHMFUDOLTJ-KBPBESRZSA-N
MW296.27 g/mol
LogP1.88
Rot. Bonds3

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

N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide (PubChem CID 12635005) has the molecular formula C14H19NOSe and a molecular weight of 296.27 g/mol. Its IUPAC name is N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide
PubChem CID12635005
Molecular FormulaC14H19NOSe
Molecular Weight296.27 g/mol
Exact Mass297.06
IUPAC NameN-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CCCC[C@@H]1[Se]c1ccccc1
InChIInChI=1S/C14H19NOSe/c1-11(16)15-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,15,16)/t13-,14-/m0/s1
InChIKeyOVKIQHMFUDOLTJ-KBPBESRZSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[(1S,2S)-2-phenylselanylcyclohexyl]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-phenylselanylcyclohexyl]acetamide?
The IUPAC name of N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide (CID 12635005) is N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide is CC(=O)N[C@H]1CCCC[C@@H]1[Se]c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide?
The InChIKey is OVKIQHMFUDOLTJ-KBPBESRZSA-N. The full InChI is InChI=1S/C14H19NOSe/c1-11(16)15-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,15,16)/t13-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide?
N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide has a molecular weight of 296.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide is sourced from PubChem (CID 12635005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).