4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide

C22H22N4O2 — CID 137466862

IUPAC4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H22N4O2/c23-15-17-5-9-19(10-6-17)21(27)25-13-3-1-2-4-14-26-22(28)20-11-7-18(16-24)8-12-20/h5-12H,1-4,13-14H2,(H,25,27)(H,26,28)
InChIKeyJVGUOMITOUUXAG-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.15
Rot. Bonds9

About 4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide

4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide (PubChem CID 137466862) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
PubChem CID137466862
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H22N4O2/c23-15-17-5-9-19(10-6-17)21(27)25-13-3-1-2-4-14-26-22(28)20-11-7-18(16-24)8-12-20/h5-12H,1-4,13-14H2,(H,25,27)(H,26,28)
InChIKeyJVGUOMITOUUXAG-UHFFFAOYSA-N
XLogP3.15
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 14179073
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CID 79003058
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CID 11783188
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
4-cyano-N-[2-(propylamino)ethyl]benzamide
CID 55100867
6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate
CID 171768625
4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide
CID 10859192
4-[(4-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832074
4-cyano-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889856
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide?
The IUPAC name of 4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide (CID 137466862) is 4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide.
What is the SMILES notation for 4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide?
The canonical SMILES for 4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide is N#Cc1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide?
The InChIKey is JVGUOMITOUUXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-15-17-5-9-19(10-6-17)21(27)25-13-3-1-2-4-14-26-22(28)20-11-7-18(16-24)8-12-20/h5-12H,1-4,13-14H2,(H,25,27)(H,26,28).
What are the key properties of 4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide?
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide is sourced from PubChem (CID 137466862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).