N-(1-phenylpentylideneamino)octanamide

C19H30N2O — CID 4676930

IUPACN-(1-phenylpentylideneamino)octanamide
SMILESCCCCCCCC(=O)NN=C(CCCC)c1ccccc1
InChIInChI=1S/C19H30N2O/c1-3-5-7-8-12-16-19(22)21-20-18(15-6-4-2)17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15-16H2,1-2H3,(H,21,22)
InChIKeyJGZPFNAVEYQMCN-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.06
Rot. Bonds11

About N-(1-phenylpentylideneamino)octanamide

N-(1-phenylpentylideneamino)octanamide (PubChem CID 4676930) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(1-phenylpentylideneamino)octanamide.

Molecular Properties

Compound NameN-(1-phenylpentylideneamino)octanamide
PubChem CID4676930
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-(1-phenylpentylideneamino)octanamide
SMILESCCCCCCCC(=O)NN=C(CCCC)c1ccccc1
InChIInChI=1S/C19H30N2O/c1-3-5-7-8-12-16-19(22)21-20-18(15-6-4-2)17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15-16H2,1-2H3,(H,21,22)
InChIKeyJGZPFNAVEYQMCN-UHFFFAOYSA-N
XLogP5.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.06
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-(1-phenylpropylideneamino)pentanamide
CID 4996868
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
N-[(E)-1-(4-methylphenyl)propylideneamino]decanamide
CID 6262832
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide
CID 5002816
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
CID 6392223
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea
CID 6391805

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentylideneamino)octanamide?
The IUPAC name of N-(1-phenylpentylideneamino)octanamide (CID 4676930) is N-(1-phenylpentylideneamino)octanamide.
What is the SMILES notation for N-(1-phenylpentylideneamino)octanamide?
The canonical SMILES for N-(1-phenylpentylideneamino)octanamide is CCCCCCCC(=O)NN=C(CCCC)c1ccccc1.
What is the InChIKey of N-(1-phenylpentylideneamino)octanamide?
The InChIKey is JGZPFNAVEYQMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-5-7-8-12-16-19(22)21-20-18(15-6-4-2)17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15-16H2,1-2H3,(H,21,22).
What are the key properties of N-(1-phenylpentylideneamino)octanamide?
N-(1-phenylpentylideneamino)octanamide has a molecular weight of 302.46 g/mol, XLogP of 5.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentylideneamino)octanamide is sourced from PubChem (CID 4676930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).