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

C19H32N2O — CID 4182915

IUPACN-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-14-19(22)21-20-18-15-16-12-11-13-17(16)18/h11-12,16-17H,2-10,13-15H2,1H3,(H,21,22)
InChIKeyAHINPRDNIOGXPJ-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.98
Rot. Bonds11

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

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide (PubChem CID 4182915) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide
PubChem CID4182915
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-14-19(22)21-20-18-15-16-12-11-13-17(16)18/h11-12,16-17H,2-10,13-15H2,1H3,(H,21,22)
InChIKeyAHINPRDNIOGXPJ-UHFFFAOYSA-N
XLogP4.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
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

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
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
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide
CID 3724265
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)nonanamide
CID 4193660

Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide (CID 4182915) is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide is CCCCCCCCCCCC(=O)NN=C1CC2C=CCC12.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide?
The InChIKey is AHINPRDNIOGXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-14-19(22)21-20-18-15-16-12-11-13-17(16)18/h11-12,16-17H,2-10,13-15H2,1H3,(H,21,22).
What are the key properties of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide?
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide has a molecular weight of 304.48 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-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide is sourced from PubChem (CID 4182915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).