N-(3-cyanophenyl)-3,3-dimethylbutanamide

C13H16N2O — CID 803129

IUPACN-(3-cyanophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C13H16N2O/c1-13(2,3)8-12(16)15-11-6-4-5-10(7-11)9-14/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyDIYWFUHFQDBALD-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.93
Rot. Bonds2

About N-(3-cyanophenyl)-3,3-dimethylbutanamide

N-(3-cyanophenyl)-3,3-dimethylbutanamide (PubChem CID 803129) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3,3-dimethylbutanamide
PubChem CID803129
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(3-cyanophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C13H16N2O/c1-13(2,3)8-12(16)15-11-6-4-5-10(7-11)9-14/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyDIYWFUHFQDBALD-UHFFFAOYSA-N
XLogP2.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
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1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 43501248
N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide
CID 115666850
[2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
CID 8756761
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
3-(3-cyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82820785
N-(3-cyanophenyl)octanamide
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CID 26438593

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(3-cyanophenyl)-3,3-dimethylbutanamide (CID 803129) is N-(3-cyanophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-cyanophenyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3,3-dimethylbutanamide?
The InChIKey is DIYWFUHFQDBALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)8-12(16)15-11-6-4-5-10(7-11)9-14/h4-7H,8H2,1-3H3,(H,15,16).
What are the key properties of N-(3-cyanophenyl)-3,3-dimethylbutanamide?
N-(3-cyanophenyl)-3,3-dimethylbutanamide has a molecular weight of 216.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 803129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).