6-(4-benzoylanilino)hexanal

C19H21NO2 — CID 100969880

IUPAC6-(4-benzoylanilino)hexanal
SMILESO=CCCCCCNc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c21-15-7-2-1-6-14-20-18-12-10-17(11-13-18)19(22)16-8-4-3-5-9-16/h3-5,8-13,15,20H,1-2,6-7,14H2
InChIKeyMCGMCZLGLFRKQO-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.09
Rot. Bonds9

About 6-(4-benzoylanilino)hexanal

6-(4-benzoylanilino)hexanal (PubChem CID 100969880) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6-(4-benzoylanilino)hexanal.

Molecular Properties

Compound Name6-(4-benzoylanilino)hexanal
PubChem CID100969880
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name6-(4-benzoylanilino)hexanal
SMILESO=CCCCCCNc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c21-15-7-2-1-6-14-20-18-12-10-17(11-13-18)19(22)16-8-4-3-5-9-16/h3-5,8-13,15,20H,1-2,6-7,14H2
InChIKeyMCGMCZLGLFRKQO-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(12-anilinododecoxy)phenyl]-phenylmethanone
CID 15398969
5-(4-methylanilino)pentanal
CID 89217806
diphenylmethanone;heptanal;heptan-1-ol
CID 158829151
4-(10-phenyldecylamino)benzoic acid
CID 13079660
4-[[(E)-tetradec-4-enyl]amino]benzoic acid
CID 23334187
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
2-methyl-1-[4-(octylamino)phenyl]-3-phenylpropane-1,3-dione
CID 21318895
N-oct-7-enylaniline
CID 101291024
8-oxo-N-phenyloctanamide
CID 15739209
2-(4-benzoylanilino)acetonitrile
CID 57025219
4-[8-(4-chloroanilino)octylamino]benzoic acid
CID 57083445
4-[4-(4-chlorobenzoyl)anilino]butanoic acid
CID 14072049

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzoylanilino)hexanal?
The IUPAC name of 6-(4-benzoylanilino)hexanal (CID 100969880) is 6-(4-benzoylanilino)hexanal.
What is the SMILES notation for 6-(4-benzoylanilino)hexanal?
The canonical SMILES for 6-(4-benzoylanilino)hexanal is O=CCCCCCNc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 6-(4-benzoylanilino)hexanal?
The InChIKey is MCGMCZLGLFRKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-15-7-2-1-6-14-20-18-12-10-17(11-13-18)19(22)16-8-4-3-5-9-16/h3-5,8-13,15,20H,1-2,6-7,14H2.
What are the key properties of 6-(4-benzoylanilino)hexanal?
6-(4-benzoylanilino)hexanal has a molecular weight of 295.38 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzoylanilino)hexanal is sourced from PubChem (CID 100969880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).