N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide

C18H30N2O — CID 4564775

IUPACN-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-13-18(21)20-19-17-14-15-11-10-12-16(15)17/h10-11,15-16H,2-9,12-14H2,1H3,(H,20,21)
InChIKeyZAZZHWQEAGDAFT-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.59
Rot. Bonds10

About N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide (PubChem CID 4564775) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide
PubChem CID4564775
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-13-18(21)20-19-17-14-15-11-10-12-16(15)17/h10-11,15-16H,2-9,12-14H2,1H3,(H,20,21)
InChIKeyZAZZHWQEAGDAFT-UHFFFAOYSA-N
XLogP4.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.59
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

3-[(2E,5E)-5-fluoro-6-methylocta-2,5-dien-3-yl]-4-methyl-1,4,5,6-tetrahydrodiazepin-7-one
CID 163707964
N'~1~,N'~7~-Dibicyclo[3.2.0]hept-3-EN-6-ylidenheptanedihydrazide
CID 9624837
N'~1~,N'~6~-Dibicyclo[3.2.0]hept-3-EN-6-ylidenhexanedihydrazide
CID 9670029
4-Prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one
CID 69193772
3-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 142842094
3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide
CID 169107465
N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide
CID 169107701
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)decanamide
CID 3349650
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide
CID 3361607
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide
CID 3456277
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide
CID 3536131
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-3-methylbutanamide
CID 3626824

Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide (CID 4564775) is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide is CCCCCCCCCCC(=O)NN=C1CC2C=CCC12.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide?
The InChIKey is ZAZZHWQEAGDAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-13-18(21)20-19-17-14-15-11-10-12-16(15)17/h10-11,15-16H,2-9,12-14H2,1H3,(H,20,21).
What are the key properties of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide?
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide has a molecular weight of 290.45 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide is sourced from PubChem (CID 4564775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).