N-(but-2-enylideneamino)octanamide

C12H22N2O — CID 5180348

IUPACN-(but-2-enylideneamino)octanamide
SMILESCC=CC=NNC(=O)CCCCCCC
InChIInChI=1S/C12H22N2O/c1-3-5-7-8-9-10-12(15)14-13-11-6-4-2/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,15)
InChIKeyAHYYHBLZRSJSRL-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.03
Rot. Bonds8

About N-(but-2-enylideneamino)octanamide

N-(but-2-enylideneamino)octanamide (PubChem CID 5180348) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(but-2-enylideneamino)octanamide.

Molecular Properties

Compound NameN-(but-2-enylideneamino)octanamide
PubChem CID5180348
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(but-2-enylideneamino)octanamide
SMILESCC=CC=NNC(=O)CCCCCCC
InChIInChI=1S/C12H22N2O/c1-3-5-7-8-9-10-12(15)14-13-11-6-4-2/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,15)
InChIKeyAHYYHBLZRSJSRL-UHFFFAOYSA-N
XLogP3.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.03
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(but-2-enylideneamino)hexanediamide
CID 4148126
N-(nonylideneamino)decanamide
CID 5084396
N-(butylideneamino)heptanamide
CID 4641242
N-(nonylideneamino)octanamide
CID 4295690
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
N,N'-bis(butylideneamino)heptanediamide
CID 4260370
N,N'-bis(butylideneamino)octanediamide
CID 5050764
N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride
CID 139847717
dodeca-2,4-dien-6-one
CID 71412707
N-(2,4-dimethylpentan-3-ylideneamino)undecanamide
CID 5187619
N,N'-bis[(E)-propylideneamino]dodecanediamide
CID 122685099

Frequently Asked Questions

What is the IUPAC name of N-(but-2-enylideneamino)octanamide?
The IUPAC name of N-(but-2-enylideneamino)octanamide (CID 5180348) is N-(but-2-enylideneamino)octanamide.
What is the SMILES notation for N-(but-2-enylideneamino)octanamide?
The canonical SMILES for N-(but-2-enylideneamino)octanamide is CC=CC=NNC(=O)CCCCCCC.
What is the InChIKey of N-(but-2-enylideneamino)octanamide?
The InChIKey is AHYYHBLZRSJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-7-8-9-10-12(15)14-13-11-6-4-2/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,15).
What are the key properties of N-(but-2-enylideneamino)octanamide?
N-(but-2-enylideneamino)octanamide has a molecular weight of 210.32 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(but-2-enylideneamino)octanamide is sourced from PubChem (CID 5180348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).