N-(2,4-dimethylpentan-3-ylideneamino)undecanamide

C18H36N2O — CID 5187619

IUPACN-(2,4-dimethylpentan-3-ylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=C(C(C)C)C(C)C
InChIInChI=1S/C18H36N2O/c1-6-7-8-9-10-11-12-13-14-17(21)19-20-18(15(2)3)16(4)5/h15-16H,6-14H2,1-5H3,(H,19,21)
InChIKeyAGBHBTQUUVTBRW-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.30
Rot. Bonds12

About N-(2,4-dimethylpentan-3-ylideneamino)undecanamide

N-(2,4-dimethylpentan-3-ylideneamino)undecanamide (PubChem CID 5187619) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-ylideneamino)undecanamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-ylideneamino)undecanamide
PubChem CID5187619
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-(2,4-dimethylpentan-3-ylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=C(C(C)C)C(C)C
InChIInChI=1S/C18H36N2O/c1-6-7-8-9-10-11-12-13-14-17(21)19-20-18(15(2)3)16(4)5/h15-16H,6-14H2,1-5H3,(H,19,21)
InChIKeyAGBHBTQUUVTBRW-UHFFFAOYSA-N
XLogP5.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.30
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-[(Z)-3-methylbutan-2-ylideneamino]nonanamide
CID 6005441
N-(hexan-2-ylideneamino)octanamide
CID 4148475
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
N,N'-bis(pentan-3-ylideneamino)octanediamide
CID 4295045
N-(2-methylpropanoyl)heptanamide
CID 150179955
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(but-2-enylideneamino)octanamide
CID 5180348
N-(4-methylpentan-2-ylideneamino)pentanamide
CID 5150903
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-pentan-2-ylundecanamide
CID 173258559
N-decanoyldecanamide
CID 87914075

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-ylideneamino)undecanamide?
The IUPAC name of N-(2,4-dimethylpentan-3-ylideneamino)undecanamide (CID 5187619) is N-(2,4-dimethylpentan-3-ylideneamino)undecanamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-ylideneamino)undecanamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-ylideneamino)undecanamide is CCCCCCCCCCC(=O)NN=C(C(C)C)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-ylideneamino)undecanamide?
The InChIKey is AGBHBTQUUVTBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-7-8-9-10-11-12-13-14-17(21)19-20-18(15(2)3)16(4)5/h15-16H,6-14H2,1-5H3,(H,19,21).
What are the key properties of N-(2,4-dimethylpentan-3-ylideneamino)undecanamide?
N-(2,4-dimethylpentan-3-ylideneamino)undecanamide has a molecular weight of 296.50 g/mol, XLogP of 5.30, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-ylideneamino)undecanamide is sourced from PubChem (CID 5187619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).