N-(2-cyanobutan-2-yl)-4-ethylbenzamide

C14H18N2O — CID 51089526

IUPACN-(2-cyanobutan-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(C)(C#N)CC)cc1
InChIInChI=1S/C14H18N2O/c1-4-11-6-8-12(9-7-11)13(17)16-14(3,5-2)10-15/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyVFNKJTXHGDOFFN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.67
Rot. Bonds4

About N-(2-cyanobutan-2-yl)-4-ethylbenzamide

N-(2-cyanobutan-2-yl)-4-ethylbenzamide (PubChem CID 51089526) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-4-ethylbenzamide
PubChem CID51089526
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(2-cyanobutan-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(C)(C#N)CC)cc1
InChIInChI=1S/C14H18N2O/c1-4-11-6-8-12(9-7-11)13(17)16-14(3,5-2)10-15/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyVFNKJTXHGDOFFN-UHFFFAOYSA-N
XLogP2.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanopropan-2-yl)-4-ethylbenzamide
CID 60967523
N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide
CID 78989486
3,4-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089519
N-(2-cyanobutan-2-yl)-3-methylbenzamide
CID 51089539
4-bromo-3-chloro-N-(2-cyanobutan-2-yl)benzamide
CID 80998085
N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764912
N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 62401437
N-(2-cyanobutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113244762
3-chloro-N-(2-cyanobutan-2-yl)-4-nitrobenzamide
CID 103873377
N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 51089527
N-(2-cyanobutan-2-yl)-4-methoxy-3-nitrobenzamide
CID 61119589
4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide
CID 3916831

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-4-ethylbenzamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-4-ethylbenzamide (CID 51089526) is N-(2-cyanobutan-2-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-4-ethylbenzamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-4-ethylbenzamide is CCc1ccc(C(=O)NC(C)(C#N)CC)cc1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-4-ethylbenzamide?
The InChIKey is VFNKJTXHGDOFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-11-6-8-12(9-7-11)13(17)16-14(3,5-2)10-15/h6-9H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N-(2-cyanobutan-2-yl)-4-ethylbenzamide?
N-(2-cyanobutan-2-yl)-4-ethylbenzamide has a molecular weight of 230.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-4-ethylbenzamide is sourced from PubChem (CID 51089526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).