N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide

C25H45NO — CID 57048614

IUPACN-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide
SMILESCCCCCCCC(NC(=O)CCC)=C1C(CCCC)C=CC1CCCC
InChIInChI=1S/C25H45NO/c1-5-9-12-13-14-18-23(26-24(27)15-8-4)25-21(16-10-6-2)19-20-22(25)17-11-7-3/h19-22H,5-18H2,1-4H3,(H,26,27)
InChIKeyFPZTYOWTWMGQFV-UHFFFAOYSA-N
MW375.64 g/mol
LogP7.70
Rot. Bonds15

About N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide

N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide (PubChem CID 57048614) has the molecular formula C25H45NO and a molecular weight of 375.64 g/mol. Its IUPAC name is N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide.

Molecular Properties

Compound NameN-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide
PubChem CID57048614
Molecular FormulaC25H45NO
Molecular Weight375.64 g/mol
Exact Mass375.35
IUPAC NameN-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide
SMILESCCCCCCCC(NC(=O)CCC)=C1C(CCCC)C=CC1CCCC
InChIInChI=1S/C25H45NO/c1-5-9-12-13-14-18-23(26-24(27)15-8-4)25-21(16-10-6-2)19-20-22(25)17-11-7-3/h19-22H,5-18H2,1-4H3,(H,26,27)
InChIKeyFPZTYOWTWMGQFV-UHFFFAOYSA-N
XLogP7.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.64
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide?
The IUPAC name of N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide (CID 57048614) is N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide.
What is the SMILES notation for N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide?
The canonical SMILES for N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide is CCCCCCCC(NC(=O)CCC)=C1C(CCCC)C=CC1CCCC.
What is the InChIKey of N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide?
The InChIKey is FPZTYOWTWMGQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO/c1-5-9-12-13-14-18-23(26-24(27)15-8-4)25-21(16-10-6-2)19-20-22(25)17-11-7-3/h19-22H,5-18H2,1-4H3,(H,26,27).
What are the key properties of N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide?
N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide has a molecular weight of 375.64 g/mol, XLogP of 7.70, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dibutylcyclopent-3-en-1-ylidene)octyl]butanamide is sourced from PubChem (CID 57048614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).