(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide

C17H30N2O2 — CID 94491136

IUPAC(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide
SMILESCC(=O)N[C@H](C(=O)NC1CCCCCCC1)C1CCCC1
InChIInChI=1S/C17H30N2O2/c1-13(20)18-16(14-9-7-8-10-14)17(21)19-15-11-5-3-2-4-6-12-15/h14-16H,2-12H2,1H3,(H,18,20)(H,19,21)/t16-/m0/s1
InChIKeyGSHXXXCZCJDGNV-INIZCTEOSA-N
MW294.44 g/mol
LogP2.91
Rot. Bonds4

About (2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide

(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide (PubChem CID 94491136) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide
PubChem CID94491136
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide
SMILESCC(=O)N[C@H](C(=O)NC1CCCCCCC1)C1CCCC1
InChIInChI=1S/C17H30N2O2/c1-13(20)18-16(14-9-7-8-10-14)17(21)19-15-11-5-3-2-4-6-12-15/h14-16H,2-12H2,1H3,(H,18,20)(H,19,21)/t16-/m0/s1
InChIKeyGSHXXXCZCJDGNV-INIZCTEOSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-2-cyclopentyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119386391
2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride
CID 119619470
2-acetamido-N-cycloheptyl-3-sulfanylpropanamide
CID 107769078
(2S)-2-acetamido-2-cyclopentylacetamide
CID 177134286
2-acetamido-2-cyclopentyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120577799
2-acetamido-2-cyclopentyl-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556382
methyl (2S)-2-[(2-acetamido-2-cyclopentylacetyl)amino]propanoate
CID 87040294
(2R)-2-acetamido-2-cyclobutylacetic acid
CID 91654951
(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide
CID 95231715
2-acetamido-2-cyclopentyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 134026215
2-acetamido-2-cyclopentyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119430086
(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 25363384

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide?
The IUPAC name of (2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide (CID 94491136) is (2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide.
What is the SMILES notation for (2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide?
The canonical SMILES for (2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide is CC(=O)N[C@H](C(=O)NC1CCCCCCC1)C1CCCC1.
What is the InChIKey of (2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide?
The InChIKey is GSHXXXCZCJDGNV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13(20)18-16(14-9-7-8-10-14)17(21)19-15-11-5-3-2-4-6-12-15/h14-16H,2-12H2,1H3,(H,18,20)(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide?
(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide has a molecular weight of 294.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide is sourced from PubChem (CID 94491136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).