2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide

C22H29NO3 — CID 101107082

IUPAC2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide
SMILESCc1ccc(OCCCCC/C=C/C=O)c(NC(=O)CC2C=CCC2)c1
InChIInChI=1S/C22H29NO3/c1-18-12-13-21(26-15-9-5-3-2-4-8-14-24)20(16-18)23-22(25)17-19-10-6-7-11-19/h4,6,8,10,12-14,16,19H,2-3,5,7,9,11,15,17H2,1H3,(H,23,25)/b8-4+
InChIKeySSZUIBIVMAPSML-XBXARRHUSA-N
MW355.48 g/mol
LogP4.98
Rot. Bonds11

About 2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide

2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide (PubChem CID 101107082) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide
PubChem CID101107082
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide
SMILESCc1ccc(OCCCCC/C=C/C=O)c(NC(=O)CC2C=CCC2)c1
InChIInChI=1S/C22H29NO3/c1-18-12-13-21(26-15-9-5-3-2-4-8-14-24)20(16-18)23-22(25)17-19-10-6-7-11-19/h4,6,8,10,12-14,16,19H,2-3,5,7,9,11,15,17H2,1H3,(H,23,25)/b8-4+
InChIKeySSZUIBIVMAPSML-XBXARRHUSA-N
XLogP4.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide
CID 134875380
2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 46551111
N-(2-bromo-4-methylphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 41037744
N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 41037745
2-cyclopent-2-en-1-yl-N-(2,5-dimethoxyphenyl)acetamide
CID 18196579
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068771
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43806493
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9319185
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065629
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
2-cyclopent-2-en-1-yl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46820829

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide (CID 101107082) is 2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide is Cc1ccc(OCCCCC/C=C/C=O)c(NC(=O)CC2C=CCC2)c1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide?
The InChIKey is SSZUIBIVMAPSML-XBXARRHUSA-N. The full InChI is InChI=1S/C22H29NO3/c1-18-12-13-21(26-15-9-5-3-2-4-8-14-24)20(16-18)23-22(25)17-19-10-6-7-11-19/h4,6,8,10,12-14,16,19H,2-3,5,7,9,11,15,17H2,1H3,(H,23,25)/b8-4+.
What are the key properties of 2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide?
2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide is sourced from PubChem (CID 101107082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).