N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide

C13H16N2O — CID 82127029

IUPACN-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C13H16N2O/c1-10-7-5-6-8-11(10)12(16)15(4)13(2,3)9-14/h5-8H,1-4H3
InChIKeyOWJOGLVTDAHJMD-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.37
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide

N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide (PubChem CID 82127029) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide
PubChem CID82127029
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C13H16N2O/c1-10-7-5-6-8-11(10)12(16)15(4)13(2,3)9-14/h5-8H,1-4H3
InChIKeyOWJOGLVTDAHJMD-UHFFFAOYSA-N
XLogP2.37
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-chloro-N,2-dimethylbenzamide
CID 166437996
N-iodo-N,2-dimethylbenzamide
CID 143099347
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 55851412
N,2-dimethylbenzohydrazide;hydrochloride
CID 21321934
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396
N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide
CID 86054659
N,2-dimethyl-N-phenylbenzamide
CID 5222383
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
N-(cyanomethyl)-2-methyl-N-phenylbenzamide
CID 82131459
3,4-dichloro-N-(2-cyanopropan-2-yl)-N-methylbenzamide
CID 94697054
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide (CID 82127029) is N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)C(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide?
The InChIKey is OWJOGLVTDAHJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-7-5-6-8-11(10)12(16)15(4)13(2,3)9-14/h5-8H,1-4H3.
What are the key properties of N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide?
N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide has a molecular weight of 216.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide is sourced from PubChem (CID 82127029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).