4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide

C16H21N3O2 — CID 86816052

IUPAC4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide
SMILESCCCC(C)(C)NC(=O)CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-4-9-16(2,3)19-14(20)11-18-15(21)13-7-5-12(10-17)6-8-13/h5-8H,4,9,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyYOJLOKLJFQKVEJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.98
Rot. Bonds6

About 4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide

4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide (PubChem CID 86816052) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide
PubChem CID86816052
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide
SMILESCCCC(C)(C)NC(=O)CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-4-9-16(2,3)19-14(20)11-18-15(21)13-7-5-12(10-17)6-8-13/h5-8H,4,9,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyYOJLOKLJFQKVEJ-UHFFFAOYSA-N
XLogP1.98
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide
CID 10859192
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N-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 115869842
3-cyano-N-(2-methylpentan-2-yl)benzamide
CID 49366750
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CID 55100867
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CID 90500924
4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63866133
4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
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N-[3-(bromomethyl)pentan-3-yl]-4-cyanobenzamide
CID 113275769
4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide
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4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide (CID 86816052) is 4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide is CCCC(C)(C)NC(=O)CNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide?
The InChIKey is YOJLOKLJFQKVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-9-16(2,3)19-14(20)11-18-15(21)13-7-5-12(10-17)6-8-13/h5-8H,4,9,11H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide?
4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide has a molecular weight of 287.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 86816052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).