3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide

C15H21N3O — CID 82179015

IUPAC3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1cccc(CC#N)c1
InChIInChI=1S/C15H21N3O/c1-3-18(4-2)11-10-17-15(19)14-7-5-6-13(12-14)8-9-16/h5-7,12H,3-4,8,10-11H2,1-2H3,(H,17,19)
InChIKeyJITBAUHHFRWJCI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.82
Rot. Bonds7

About 3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide

3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 82179015) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide
PubChem CID82179015
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1cccc(CC#N)c1
InChIInChI=1S/C15H21N3O/c1-3-18(4-2)11-10-17-15(19)14-7-5-6-13(12-14)8-9-16/h5-7,12H,3-4,8,10-11H2,1-2H3,(H,17,19)
InChIKeyJITBAUHHFRWJCI-UHFFFAOYSA-N
XLogP1.82
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(cyanomethyl)-N-(3-ethoxypropyl)benzamide
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3-(cyanomethyl)-N-methylbenzamide
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N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
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3-(cyanomethyl)benzohydrazide
CID 68715824
1-N,3-N-bis[2-[ethyl(octyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139952425
1-N,3-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,3-dicarboxamide
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CID 43007092
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Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide (CID 82179015) is 3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1cccc(CC#N)c1.
What is the InChIKey of 3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is JITBAUHHFRWJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-18(4-2)11-10-17-15(19)14-7-5-6-13(12-14)8-9-16/h5-7,12H,3-4,8,10-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide?
3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 259.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 82179015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).