N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide

C18H32N2O — CID 3601226

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=CC1CC=CCC1
InChIInChI=1S/C18H32N2O/c1-2-3-4-5-6-7-8-12-15-18(21)20-19-16-17-13-10-9-11-14-17/h9-10,16-17H,2-8,11-15H2,1H3,(H,20,21)
InChIKeyFSYOFTRHPLNRBS-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.98
Rot. Bonds11

About N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide

N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide (PubChem CID 3601226) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)undecanamide
PubChem CID3601226
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=CC1CC=CCC1
InChIInChI=1S/C18H32N2O/c1-2-3-4-5-6-7-8-12-15-18(21)20-19-16-17-13-10-9-11-14-17/h9-10,16-17H,2-8,11-15H2,1H3,(H,20,21)
InChIKeyFSYOFTRHPLNRBS-UHFFFAOYSA-N
XLogP4.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 17921898
N'~1~,N'~10~-bis(3-cyclohexen-1-ylmethylene)decanedihydrazide
CID 5339736
Stearic (2-butyl-2-ethyl-5-methyl-3,4-hexadien-1-ylidene)hydrazide
CID 9554914
N'~1~,N'~5~-bis(3-cyclohexen-1-ylmethylene)pentanedihydrazide
CID 9615447
N'-[(E)-cyclohex-3-en-1-ylmethylidene]cyclohexanecarbohydrazide
CID 9649246
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
CID 44506967
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
CID 44507865
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyoctanediamide
CID 44507898
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide
CID 54610046
(4aR,8aS)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 67503627
(4aS,8aR)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 67503629
N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 143458421

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide (CID 3601226) is N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide is CCCCCCCCCCC(=O)NN=CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide?
The InChIKey is FSYOFTRHPLNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-3-4-5-6-7-8-12-15-18(21)20-19-16-17-13-10-9-11-14-17/h9-10,16-17H,2-8,11-15H2,1H3,(H,20,21).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide?
N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide has a molecular weight of 292.47 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide is sourced from PubChem (CID 3601226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).