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

C13H16N2O — CID 60967523

IUPACN-(2-cyanopropan-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(C)(C)C#N)cc1
InChIInChI=1S/C13H16N2O/c1-4-10-5-7-11(8-6-10)12(16)15-13(2,3)9-14/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyKAESBUBYQLCQOM-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.28
Rot. Bonds3

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

N-(2-cyanopropan-2-yl)-4-ethylbenzamide (PubChem CID 60967523) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-4-ethylbenzamide
PubChem CID60967523
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2-cyanopropan-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(C)(C)C#N)cc1
InChIInChI=1S/C13H16N2O/c1-4-10-5-7-11(8-6-10)12(16)15-13(2,3)9-14/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyKAESBUBYQLCQOM-UHFFFAOYSA-N
XLogP2.28
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanobutan-2-yl)-4-ethylbenzamide
CID 51089526
N-(2-cyanopropan-2-yl)-4-fluorobenzamide
CID 60966958
N-(2-cyanopropan-2-yl)-4-methylsulfanylbenzamide
CID 112731227
N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide
CID 55028707
2-(4-ethylanilino)-2-methylpropanenitrile
CID 82125457
2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
CID 43341278
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
4-ethylbenzoic acid;formaldehyde
CID 155718391
2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile
CID 115129774
4-ethyl-N'-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzohydrazide
CID 89153390
2-bromo-N-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 103755270
N-(2-chloroprop-2-enyl)-4-ethylbenzamide
CID 115636471

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-4-ethylbenzamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-4-ethylbenzamide (CID 60967523) is N-(2-cyanopropan-2-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-4-ethylbenzamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-4-ethylbenzamide is CCc1ccc(C(=O)NC(C)(C)C#N)cc1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-4-ethylbenzamide?
The InChIKey is KAESBUBYQLCQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-10-5-7-11(8-6-10)12(16)15-13(2,3)9-14/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(2-cyanopropan-2-yl)-4-ethylbenzamide?
N-(2-cyanopropan-2-yl)-4-ethylbenzamide has a molecular weight of 216.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-4-ethylbenzamide is sourced from PubChem (CID 60967523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).