3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide

C15H20N2O — CID 24961543

IUPAC3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)C(NC(=O)c1cccc(C#N)c1)C(C)C
InChIInChI=1S/C15H20N2O/c1-10(2)14(11(3)4)17-15(18)13-7-5-6-12(8-13)9-16/h5-8,10-11,14H,1-4H3,(H,17,18)
InChIKeyVLZKDJVJAYBSGT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.97
Rot. Bonds4

About 3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide

3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide (PubChem CID 24961543) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
PubChem CID24961543
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)C(NC(=O)c1cccc(C#N)c1)C(C)C
InChIInChI=1S/C15H20N2O/c1-10(2)14(11(3)4)17-15(18)13-7-5-6-12(8-13)9-16/h5-8,10-11,14H,1-4H3,(H,17,18)
InChIKeyVLZKDJVJAYBSGT-UHFFFAOYSA-N
XLogP2.97
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 28831529
3-cyano-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859806
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
3-cyano-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46820237
3-cyano-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 42959635
3-cyano-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 35905657
3-cyano-N-(1-naphthalen-2-ylethyl)benzamide
CID 4824219
3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 7899681
3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101658

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide (CID 24961543) is 3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide is CC(C)C(NC(=O)c1cccc(C#N)c1)C(C)C.
What is the InChIKey of 3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide?
The InChIKey is VLZKDJVJAYBSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)14(11(3)4)17-15(18)13-7-5-6-12(8-13)9-16/h5-8,10-11,14H,1-4H3,(H,17,18).
What are the key properties of 3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide?
3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide has a molecular weight of 244.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 24961543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).