N-decylidenebenzamide

C17H25NO — CID 90984528

IUPACN-decylidenebenzamide
SMILESCCCCCCCCC/C=N/C(=O)c1ccccc1
InChIInChI=1S/C17H25NO/c1-2-3-4-5-6-7-8-12-15-18-17(19)16-13-10-9-11-14-16/h9-11,13-15H,2-8,12H2,1H3/b18-15+
InChIKeyVJASNSKRDZXDKO-OBGWFSINSA-N
MW259.39 g/mol
LogP5.04
Rot. Bonds9

About N-decylidenebenzamide

N-decylidenebenzamide (PubChem CID 90984528) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-decylidenebenzamide.

Molecular Properties

Compound NameN-decylidenebenzamide
PubChem CID90984528
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-decylidenebenzamide
SMILESCCCCCCCCC/C=N/C(=O)c1ccccc1
InChIInChI=1S/C17H25NO/c1-2-3-4-5-6-7-8-12-15-18-17(19)16-13-10-9-11-14-16/h9-11,13-15H,2-8,12H2,1H3/b18-15+
InChIKeyVJASNSKRDZXDKO-OBGWFSINSA-N
XLogP5.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

decanal;1-phenylethanone
CID 161488656
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
2-(heptylideneamino)benzoic acid
CID 24833810
2-butyl-1-phenylnon-2-en-1-one
CID 57359358
4-(heptylidenecarbamoyl)-2,3,6-trimethylbenzoic acid
CID 141008260
hexane;1-phenylethanone
CID 160797049
N-[(E)-dec-1-enyl]benzamide
CID 71501503
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012
diphenylmethanone;heptanal;heptan-1-ol
CID 158829151
1-phenylheptadecan-1-one
CID 577626
benzoic acid;hexan-1-ol
CID 163447913
benzoic acid;hexan-1-ol
CID 175334621

Frequently Asked Questions

What is the IUPAC name of N-decylidenebenzamide?
The IUPAC name of N-decylidenebenzamide (CID 90984528) is N-decylidenebenzamide.
What is the SMILES notation for N-decylidenebenzamide?
The canonical SMILES for N-decylidenebenzamide is CCCCCCCCC/C=N/C(=O)c1ccccc1.
What is the InChIKey of N-decylidenebenzamide?
The InChIKey is VJASNSKRDZXDKO-OBGWFSINSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-3-4-5-6-7-8-12-15-18-17(19)16-13-10-9-11-14-16/h9-11,13-15H,2-8,12H2,1H3/b18-15+.
What are the key properties of N-decylidenebenzamide?
N-decylidenebenzamide has a molecular weight of 259.39 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decylidenebenzamide is sourced from PubChem (CID 90984528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).