N-(pentan-2-ylideneamino)undecanamide

C16H32N2O — CID 3423517

IUPACN-(pentan-2-ylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=C(C)CCC
InChIInChI=1S/C16H32N2O/c1-4-6-7-8-9-10-11-12-14-16(19)18-17-15(3)13-5-2/h4-14H2,1-3H3,(H,18,19)
InChIKeyFQYHBSBIEZVHLO-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.81
Rot. Bonds12

About N-(pentan-2-ylideneamino)undecanamide

N-(pentan-2-ylideneamino)undecanamide (PubChem CID 3423517) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(pentan-2-ylideneamino)undecanamide.

Molecular Properties

Compound NameN-(pentan-2-ylideneamino)undecanamide
PubChem CID3423517
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(pentan-2-ylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=C(C)CCC
InChIInChI=1S/C16H32N2O/c1-4-6-7-8-9-10-11-12-14-16(19)18-17-15(3)13-5-2/h4-14H2,1-3H3,(H,18,19)
InChIKeyFQYHBSBIEZVHLO-UHFFFAOYSA-N
XLogP4.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.81
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-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-(hexan-2-ylideneamino)octanamide
CID 4148475
N,N'-bis(undecan-2-ylideneamino)oxamide
CID 3097994
N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide
CID 6005441
N-[(4-anilino-4-oxobutan-2-ylidene)amino]dodecanamide
CID 4549541
N-(2,4-dimethylpentan-3-ylideneamino)undecanamide
CID 5187619
N-(4-methylpentan-2-ylideneamino)pentanamide
CID 5150903
3-methyl-N-(pentan-2-ylideneamino)butanamide
CID 4171993
(nonadec-10-en-2-ylideneamino)urea
CID 71326598
6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide
CID 156522659
N,N'-bis(pentan-3-ylideneamino)octanediamide
CID 4295045
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616

Frequently Asked Questions

What is the IUPAC name of N-(pentan-2-ylideneamino)undecanamide?
The IUPAC name of N-(pentan-2-ylideneamino)undecanamide (CID 3423517) is N-(pentan-2-ylideneamino)undecanamide.
What is the SMILES notation for N-(pentan-2-ylideneamino)undecanamide?
The canonical SMILES for N-(pentan-2-ylideneamino)undecanamide is CCCCCCCCCCC(=O)NN=C(C)CCC.
What is the InChIKey of N-(pentan-2-ylideneamino)undecanamide?
The InChIKey is FQYHBSBIEZVHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-6-7-8-9-10-11-12-14-16(19)18-17-15(3)13-5-2/h4-14H2,1-3H3,(H,18,19).
What are the key properties of N-(pentan-2-ylideneamino)undecanamide?
N-(pentan-2-ylideneamino)undecanamide has a molecular weight of 268.44 g/mol, XLogP of 4.81, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentan-2-ylideneamino)undecanamide is sourced from PubChem (CID 3423517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).