N-(propan-2-ylideneamino)hexadecanamide

C19H38N2O — CID 551620

IUPACN-(propan-2-ylideneamino)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN=C(C)C
InChIInChI=1S/C19H38N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-20-18(2)3/h4-17H2,1-3H3,(H,21,22)
InChIKeyHUMHEXHXVVEMPZ-UHFFFAOYSA-N
MW310.53 g/mol
LogP5.98
Rot. Bonds15

About N-(propan-2-ylideneamino)hexadecanamide

N-(propan-2-ylideneamino)hexadecanamide (PubChem CID 551620) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)hexadecanamide.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)hexadecanamide
PubChem CID551620
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC NameN-(propan-2-ylideneamino)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN=C(C)C
InChIInChI=1S/C19H38N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-20-18(2)3/h4-17H2,1-3H3,(H,21,22)
InChIKeyHUMHEXHXVVEMPZ-UHFFFAOYSA-N
XLogP5.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 55.98
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Butyl-1,4-dihydropyrazol-5-one
CID 390701
N'-(4-Methylcyclohexylidene)decanohydrazide
CID 4281495
3-Pentyl-1H-pyrazol-5(4H)-one
CID 12329831
N-(isopropylideneamino)dodecanamide
CID 351641
N-(isopropylideneamino)-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 487264
2,4-dihydro-5-undecyl-3H-pyrazol-3-one
CID 3022331
N-(propan-2-ylideneamino)octanamide
CID 4230018
N'-(propan-2-ylidene)decanehydrazide
CID 306705
N-(cyclododecylideneamino)decanamide
CID 4451493
N',N''-(1E,2E)-propane-1,2-diylidenedioctanehydrazide
CID 9614551
Acetone heptanoylhydrazone
CID 3312106
15,25-Dimethyl-1,8-dioxo-16,17,23,24-tetraazacyclohentriaconta-15,24-dien-2,7,18,22-tetraone
CID 129882209

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)hexadecanamide?
The IUPAC name of N-(propan-2-ylideneamino)hexadecanamide (CID 551620) is N-(propan-2-ylideneamino)hexadecanamide.
What is the SMILES notation for N-(propan-2-ylideneamino)hexadecanamide?
The canonical SMILES for N-(propan-2-ylideneamino)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NN=C(C)C.
What is the InChIKey of N-(propan-2-ylideneamino)hexadecanamide?
The InChIKey is HUMHEXHXVVEMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-20-18(2)3/h4-17H2,1-3H3,(H,21,22).
What are the key properties of N-(propan-2-ylideneamino)hexadecanamide?
N-(propan-2-ylideneamino)hexadecanamide has a molecular weight of 310.53 g/mol, XLogP of 5.98, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)hexadecanamide is sourced from PubChem (CID 551620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).