N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide

C25H42N2O2 — CID 54294603

IUPACN-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=O)N1CCOCC1
InChIInChI=1S/C25H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-25(28)27-21-23-29-24-22-27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-24H2,1H3,(H,26,28)
InChIKeyRZXHODDKSJVFHT-UHFFFAOYSA-N
MW402.62 g/mol
LogP6.17
Rot. Bonds15

About N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide

N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide (PubChem CID 54294603) has the molecular formula C25H42N2O2 and a molecular weight of 402.62 g/mol. Its IUPAC name is N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide
PubChem CID54294603
Molecular FormulaC25H42N2O2
Molecular Weight402.62 g/mol
Exact Mass402.32
IUPAC NameN-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=O)N1CCOCC1
InChIInChI=1S/C25H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-25(28)27-21-23-29-24-22-27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-24H2,1H3,(H,26,28)
InChIKeyRZXHODDKSJVFHT-UHFFFAOYSA-N
XLogP6.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.62
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide?
The IUPAC name of N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide (CID 54294603) is N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide.
What is the SMILES notation for N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide?
The canonical SMILES for N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide is CCCCCC=CCC=CCC=CCC=CCCCCNC(=O)N1CCOCC1.
What is the InChIKey of N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide?
The InChIKey is RZXHODDKSJVFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-25(28)27-21-23-29-24-22-27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-24H2,1H3,(H,26,28).
What are the key properties of N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide?
N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide has a molecular weight of 402.62 g/mol, XLogP of 6.17, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide is sourced from PubChem (CID 54294603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).