2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C21H32N2O2 — CID 141193432

IUPAC2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(NCCCN1CCCC1=O)C(C1C=CC=CC1)C1CCCCC1
InChIInChI=1S/C21H32N2O2/c24-19-13-7-15-23(19)16-8-14-22-21(25)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1,3-4,9,17-18,20H,2,5-8,10-16H2,(H,22,25)
InChIKeyKKFXYLXTQQNTFA-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.44
Rot. Bonds7

About 2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 141193432) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID141193432
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(NCCCN1CCCC1=O)C(C1C=CC=CC1)C1CCCCC1
InChIInChI=1S/C21H32N2O2/c24-19-13-7-15-23(19)16-8-14-22-21(25)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1,3-4,9,17-18,20H,2,5-8,10-16H2,(H,22,25)
InChIKeyKKFXYLXTQQNTFA-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dilinoleamidopropyl Dimethylamine
CID 91864481
(1R,2R,3R,4S)-3-N-(cyclohexylmethyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495699
2-(1-cyclohexenyl)-1-(4-tetrahydro-1H-pyrrol-3-ylpiperidino)-1-ethanone
CID 110197850
N-[[(1S,4S,6S)-3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
CID 38028810
4-{1-[4-(1,3-Dioxo-1,3,3a,7a-tetrahydroisoindol-2-yl)butyl]piperidin-4-yl}-butyramide
CID 66810971
11-[(1R)-cyclopent-2-en-1-yl]-N-[3-(dimethylamino)propyl]undecanamide
CID 68404034
13-[(1R)-cyclopent-2-en-1-yl]-N-[3-(dimethylamino)propyl]tridecanamide
CID 68404038
3-[13-[(1R)-cyclopent-2-en-1-yl]tridecanoylamino]propyl-trimethylazanium
CID 69812572
14-N-(2-ethylhexyl)bicyclo[11.2.2]heptadec-16-ene-14,15-dicarboxamide
CID 70293353
3-[11-[(1R)-cyclopent-2-en-1-yl]undecanoylamino]propyl-trimethylazanium
CID 70985305
11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide
CID 77488593
13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide
CID 77488595

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 141193432) is 2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(NCCCN1CCCC1=O)C(C1C=CC=CC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is KKFXYLXTQQNTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c24-19-13-7-15-23(19)16-8-14-22-21(25)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1,3-4,9,17-18,20H,2,5-8,10-16H2,(H,22,25).
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 141193432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).