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

C19H34N2O — CID 5174220

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=CC1CC=CCC1
InChIInChI=1S/C19H34N2O/c1-2-3-4-5-6-7-8-9-13-16-19(22)21-20-17-18-14-11-10-12-15-18/h10-11,17-18H,2-9,12-16H2,1H3,(H,21,22)
InChIKeyNOYGBNPGXRJPOS-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.37
Rot. Bonds12

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

N-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide (PubChem CID 5174220) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide
PubChem CID5174220
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=CC1CC=CCC1
InChIInChI=1S/C19H34N2O/c1-2-3-4-5-6-7-8-9-13-16-19(22)21-20-17-18-14-11-10-12-15-18/h10-11,17-18H,2-9,12-16H2,1H3,(H,21,22)
InChIKeyNOYGBNPGXRJPOS-UHFFFAOYSA-N
XLogP5.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.37
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)dodecanamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide (CID 5174220) is N-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide is CCCCCCCCCCCC(=O)NN=CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide?
The InChIKey is NOYGBNPGXRJPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-2-3-4-5-6-7-8-9-13-16-19(22)21-20-17-18-14-11-10-12-15-18/h10-11,17-18H,2-9,12-16H2,1H3,(H,21,22).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide?
N-(cyclohex-3-en-1-ylmethylideneamino)dodecanamide has a molecular weight of 306.49 g/mol, XLogP of 5.37, 12 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)dodecanamide is sourced from PubChem (CID 5174220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).