N-pyrrolidin-1-yloctadeca-2,4-dienamide

C22H40N2O — CID 90936631

IUPACN-pyrrolidin-1-yloctadeca-2,4-dienamide
SMILESCCCCCCCCCCCCCC=CC=CC(=O)NN1CCCC1
InChIInChI=1S/C22H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)23-24-20-17-18-21-24/h14-16,19H,2-13,17-18,20-21H2,1H3,(H,23,25)
InChIKeyMXPVNMSKHAOPOA-UHFFFAOYSA-N
MW348.57 g/mol
LogP5.93
Rot. Bonds15

About N-pyrrolidin-1-yloctadeca-2,4-dienamide

N-pyrrolidin-1-yloctadeca-2,4-dienamide (PubChem CID 90936631) has the molecular formula C22H40N2O and a molecular weight of 348.57 g/mol. Its IUPAC name is N-pyrrolidin-1-yloctadeca-2,4-dienamide.

Molecular Properties

Compound NameN-pyrrolidin-1-yloctadeca-2,4-dienamide
PubChem CID90936631
Molecular FormulaC22H40N2O
Molecular Weight348.57 g/mol
Exact Mass348.31
IUPAC NameN-pyrrolidin-1-yloctadeca-2,4-dienamide
SMILESCCCCCCCCCCCCCC=CC=CC(=O)NN1CCCC1
InChIInChI=1S/C22H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)23-24-20-17-18-21-24/h14-16,19H,2-13,17-18,20-21H2,1H3,(H,23,25)
InChIKeyMXPVNMSKHAOPOA-UHFFFAOYSA-N
XLogP5.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-1-yloctadeca-2,4-dienamide?
The IUPAC name of N-pyrrolidin-1-yloctadeca-2,4-dienamide (CID 90936631) is N-pyrrolidin-1-yloctadeca-2,4-dienamide.
What is the SMILES notation for N-pyrrolidin-1-yloctadeca-2,4-dienamide?
The canonical SMILES for N-pyrrolidin-1-yloctadeca-2,4-dienamide is CCCCCCCCCCCCCC=CC=CC(=O)NN1CCCC1.
What is the InChIKey of N-pyrrolidin-1-yloctadeca-2,4-dienamide?
The InChIKey is MXPVNMSKHAOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)23-24-20-17-18-21-24/h14-16,19H,2-13,17-18,20-21H2,1H3,(H,23,25).
What are the key properties of N-pyrrolidin-1-yloctadeca-2,4-dienamide?
N-pyrrolidin-1-yloctadeca-2,4-dienamide has a molecular weight of 348.57 g/mol, XLogP of 5.93, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-1-yloctadeca-2,4-dienamide is sourced from PubChem (CID 90936631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).