4-cyano-N-(2-propoxybutyl)benzamide

C15H20N2O2 — CID 142176975

IUPAC4-cyano-N-(2-propoxybutyl)benzamide
SMILESCCCOC(CC)CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-3-9-19-14(4-2)11-17-15(18)13-7-5-12(10-16)6-8-13/h5-8,14H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyKQNHBUXPRAVHHE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.49
Rot. Bonds7

About 4-cyano-N-(2-propoxybutyl)benzamide

4-cyano-N-(2-propoxybutyl)benzamide (PubChem CID 142176975) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-cyano-N-(2-propoxybutyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2-propoxybutyl)benzamide
PubChem CID142176975
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-cyano-N-(2-propoxybutyl)benzamide
SMILESCCCOC(CC)CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-3-9-19-14(4-2)11-17-15(18)13-7-5-12(10-16)6-8-13/h5-8,14H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyKQNHBUXPRAVHHE-UHFFFAOYSA-N
XLogP2.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(2,2-diethoxyethyl)benzamide
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N-(2-aminopropyl)-4-cyanobenzamide
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N-[(2S)-2-amino-3-methylbutyl]-4-cyanobenzamide;hydrochloride
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4-cyano-N-[2-(propylamino)ethyl]benzamide
CID 55100867
4-cyano-N-decylbenzamide
CID 14179073
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
methyl 2-[(4-cyanobenzoyl)amino]butanoate
CID 113252769
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625368
(3S)-3-[[(4-cyanobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492868
4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide
CID 10859192

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-propoxybutyl)benzamide?
The IUPAC name of 4-cyano-N-(2-propoxybutyl)benzamide (CID 142176975) is 4-cyano-N-(2-propoxybutyl)benzamide.
What is the SMILES notation for 4-cyano-N-(2-propoxybutyl)benzamide?
The canonical SMILES for 4-cyano-N-(2-propoxybutyl)benzamide is CCCOC(CC)CNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(2-propoxybutyl)benzamide?
The InChIKey is KQNHBUXPRAVHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-9-19-14(4-2)11-17-15(18)13-7-5-12(10-16)6-8-13/h5-8,14H,3-4,9,11H2,1-2H3,(H,17,18).
What are the key properties of 4-cyano-N-(2-propoxybutyl)benzamide?
4-cyano-N-(2-propoxybutyl)benzamide has a molecular weight of 260.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-propoxybutyl)benzamide is sourced from PubChem (CID 142176975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).