1-ethylidene-3-tridec-3-enylurea

C16H30N2O — CID 141039012

IUPAC1-ethylidene-3-tridec-3-enylurea
SMILESCC=NC(=O)NCCC=CCCCCCCCCC
InChIInChI=1S/C16H30N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(19)17-4-2/h4,12-13H,3,5-11,14-15H2,1-2H3,(H,18,19)
InChIKeyYHBKWHGVBOHWHA-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.87
Rot. Bonds11

About 1-ethylidene-3-tridec-3-enylurea

1-ethylidene-3-tridec-3-enylurea (PubChem CID 141039012) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-ethylidene-3-tridec-3-enylurea.

Molecular Properties

Compound Name1-ethylidene-3-tridec-3-enylurea
PubChem CID141039012
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-ethylidene-3-tridec-3-enylurea
SMILESCC=NC(=O)NCCC=CCCCCCCCCC
InChIInChI=1S/C16H30N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(19)17-4-2/h4,12-13H,3,5-11,14-15H2,1-2H3,(H,18,19)
InChIKeyYHBKWHGVBOHWHA-UHFFFAOYSA-N
XLogP4.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-ethylideneoctadec-9-enamide
CID 174343608
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(Z)-N-dodecyldocos-13-enamide
CID 87733981

Frequently Asked Questions

What is the IUPAC name of 1-ethylidene-3-tridec-3-enylurea?
The IUPAC name of 1-ethylidene-3-tridec-3-enylurea (CID 141039012) is 1-ethylidene-3-tridec-3-enylurea.
What is the SMILES notation for 1-ethylidene-3-tridec-3-enylurea?
The canonical SMILES for 1-ethylidene-3-tridec-3-enylurea is CC=NC(=O)NCCC=CCCCCCCCCC.
What is the InChIKey of 1-ethylidene-3-tridec-3-enylurea?
The InChIKey is YHBKWHGVBOHWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(19)17-4-2/h4,12-13H,3,5-11,14-15H2,1-2H3,(H,18,19).
What are the key properties of 1-ethylidene-3-tridec-3-enylurea?
1-ethylidene-3-tridec-3-enylurea has a molecular weight of 266.43 g/mol, XLogP of 4.87, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylidene-3-tridec-3-enylurea is sourced from PubChem (CID 141039012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).