2-heptan-3-yloctadec-9-enamide

C25H49NO — CID 173151997

IUPAC2-heptan-3-yloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(C(N)=O)C(CC)CCCC
InChIInChI=1S/C25H49NO/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25(26)27)23(6-3)21-8-5-2/h14-15,23-24H,4-13,16-22H2,1-3H3,(H2,26,27)
InChIKeyYQKIBINAEZMVNU-UHFFFAOYSA-N
MW379.67 g/mol
LogP7.95
Rot. Bonds20

About 2-heptan-3-yloctadec-9-enamide

2-heptan-3-yloctadec-9-enamide (PubChem CID 173151997) has the molecular formula C25H49NO and a molecular weight of 379.67 g/mol. Its IUPAC name is 2-heptan-3-yloctadec-9-enamide.

Molecular Properties

Compound Name2-heptan-3-yloctadec-9-enamide
PubChem CID173151997
Molecular FormulaC25H49NO
Molecular Weight379.67 g/mol
Exact Mass379.38
IUPAC Name2-heptan-3-yloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(C(N)=O)C(CC)CCCC
InChIInChI=1S/C25H49NO/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25(26)27)23(6-3)21-8-5-2/h14-15,23-24H,4-13,16-22H2,1-3H3,(H2,26,27)
InChIKeyYQKIBINAEZMVNU-UHFFFAOYSA-N
XLogP7.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 57.95
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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Related Compounds

2-(1-hydroxybutan-2-yl)octadec-9-enamide
CID 173264818
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547
(Z)-2-icosan-2-yldocos-13-enamide
CID 175222534
ethyl (Z)-3-carbamoyl-2-[(Z)-hexadec-7-enyl]nonadec-10-enoate
CID 163211711
(E)-2-methyloctadec-9-enamide
CID 19371032
2-(1-hydroxypropan-2-yl)octadec-9-enamide
CID 173264917
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
2-hexadecylicos-11-enamide
CID 173011844
2-methylicosa-11,14-dienamide
CID 175746328
2-(1-acetamidobutan-2-yl)hexadecanamide
CID 87166621
(Z)-2-aminooctadec-9-enamide
CID 56663673

Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yloctadec-9-enamide?
The IUPAC name of 2-heptan-3-yloctadec-9-enamide (CID 173151997) is 2-heptan-3-yloctadec-9-enamide.
What is the SMILES notation for 2-heptan-3-yloctadec-9-enamide?
The canonical SMILES for 2-heptan-3-yloctadec-9-enamide is CCCCCCCCC=CCCCCCCC(C(N)=O)C(CC)CCCC.
What is the InChIKey of 2-heptan-3-yloctadec-9-enamide?
The InChIKey is YQKIBINAEZMVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25(26)27)23(6-3)21-8-5-2/h14-15,23-24H,4-13,16-22H2,1-3H3,(H2,26,27).
What are the key properties of 2-heptan-3-yloctadec-9-enamide?
2-heptan-3-yloctadec-9-enamide has a molecular weight of 379.67 g/mol, XLogP of 7.95, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yloctadec-9-enamide is sourced from PubChem (CID 173151997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).