N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide

C16H28N2O2Se — CID 10981236

IUPACN-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CCCC[C@@H]1[Se][C@H]1CCCC[C@@H]1NC(C)=O
InChIInChI=1S/C16H28N2O2Se/c1-11(19)17-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)18-12(2)20/h13-16H,3-10H2,1-2H3,(H,17,19)(H,18,20)/t13-,14-,15-,16-/m0/s1
InChIKeyXCKFDYLNLUKIKH-VGWMRTNUSA-N
MW359.37 g/mol
LogP2.42
Rot. Bonds4

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

N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide (PubChem CID 10981236) has the molecular formula C16H28N2O2Se and a molecular weight of 359.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide
PubChem CID10981236
Molecular FormulaC16H28N2O2Se
Molecular Weight359.37 g/mol
Exact Mass360.13
IUPAC NameN-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CCCC[C@@H]1[Se][C@H]1CCCC[C@@H]1NC(C)=O
InChIInChI=1S/C16H28N2O2Se/c1-11(19)17-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)18-12(2)20/h13-16H,3-10H2,1-2H3,(H,17,19)(H,18,20)/t13-,14-,15-,16-/m0/s1
InChIKeyXCKFDYLNLUKIKH-VGWMRTNUSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]acetamide
CID 96553168
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
cis-(1R,2S)-2-acetamidocyclohexane-1-carboxylate
CID 9442541
N-[(1S,2S)-2-iodocyclopentyl]acetamide
CID 138652376
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
CID 101197936

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide?
The IUPAC name of N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide (CID 10981236) is N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide is CC(=O)N[C@H]1CCCC[C@@H]1[Se][C@H]1CCCC[C@@H]1NC(C)=O.
What is the InChIKey of N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide?
The InChIKey is XCKFDYLNLUKIKH-VGWMRTNUSA-N. The full InChI is InChI=1S/C16H28N2O2Se/c1-11(19)17-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)18-12(2)20/h13-16H,3-10H2,1-2H3,(H,17,19)(H,18,20)/t13-,14-,15-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide?
N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide has a molecular weight of 359.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide is sourced from PubChem (CID 10981236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).