2-butylidenetridec-4-enamide

C17H31NO — CID 175316783

IUPAC2-butylidenetridec-4-enamide
SMILESCCCC=C(CC=CCCCCCCCC)C(N)=O
InChIInChI=1S/C17H31NO/c1-3-5-7-8-9-10-11-12-13-15-16(17(18)19)14-6-4-2/h12-14H,3-11,15H2,1-2H3,(H2,18,19)
InChIKeyTVYFGXDGGBREKW-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.90
Rot. Bonds12

About 2-butylidenetridec-4-enamide

2-butylidenetridec-4-enamide (PubChem CID 175316783) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-butylidenetridec-4-enamide.

Molecular Properties

Compound Name2-butylidenetridec-4-enamide
PubChem CID175316783
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-butylidenetridec-4-enamide
SMILESCCCC=C(CC=CCCCCCCCC)C(N)=O
InChIInChI=1S/C17H31NO/c1-3-5-7-8-9-10-11-12-13-15-16(17(18)19)14-6-4-2/h12-14H,3-11,15H2,1-2H3,(H2,18,19)
InChIKeyTVYFGXDGGBREKW-UHFFFAOYSA-N
XLogP4.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.90
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

nonadec-3-enamide
CID 54215031
2-dodecylpentadec-2-enamide
CID 173002797
carbamic acid;methane;(Z)-tetradec-5-ene
CID 174913616
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
(Z)-undec-4-en-2-one
CID 177193877
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
octadec-9-enamide
CID 75990485
(E)-2-ethylhex-2-enamide
CID 87982228
(E)-2,2-dimethyltetradec-5-en-3-one
CID 59409783

Frequently Asked Questions

What is the IUPAC name of 2-butylidenetridec-4-enamide?
The IUPAC name of 2-butylidenetridec-4-enamide (CID 175316783) is 2-butylidenetridec-4-enamide.
What is the SMILES notation for 2-butylidenetridec-4-enamide?
The canonical SMILES for 2-butylidenetridec-4-enamide is CCCC=C(CC=CCCCCCCCC)C(N)=O.
What is the InChIKey of 2-butylidenetridec-4-enamide?
The InChIKey is TVYFGXDGGBREKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-5-7-8-9-10-11-12-13-15-16(17(18)19)14-6-4-2/h12-14H,3-11,15H2,1-2H3,(H2,18,19).
What are the key properties of 2-butylidenetridec-4-enamide?
2-butylidenetridec-4-enamide has a molecular weight of 265.44 g/mol, XLogP of 4.90, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylidenetridec-4-enamide is sourced from PubChem (CID 175316783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).