N-(2-cyanopropan-2-yl)-2-ethoxybenzamide

C13H16N2O2 — CID 54904382

IUPACN-(2-cyanopropan-2-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(C)(C)C#N
InChIInChI=1S/C13H16N2O2/c1-4-17-11-8-6-5-7-10(11)12(16)15-13(2,3)9-14/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyKAACXCRNBXBUKS-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.12
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-2-ethoxybenzamide

N-(2-cyanopropan-2-yl)-2-ethoxybenzamide (PubChem CID 54904382) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-ethoxybenzamide
PubChem CID54904382
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-cyanopropan-2-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(C)(C)C#N
InChIInChI=1S/C13H16N2O2/c1-4-17-11-8-6-5-7-10(11)12(16)15-13(2,3)9-14/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyKAACXCRNBXBUKS-UHFFFAOYSA-N
XLogP2.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamothioylpentan-3-yl)-2-ethoxybenzamide
CID 61121162
2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79806934
N-tert-butyl-2-[(2-ethoxybenzoyl)carbamothioylamino]benzamide
CID 4926914
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide
CID 60966818
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide
CID 1241502
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
ethyl 2-[(2-ethoxybenzoyl)amino]-3,3,3-trifluoro-2-hydroxypropanoate
CID 2729392

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-ethoxybenzamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-ethoxybenzamide (CID 54904382) is N-(2-cyanopropan-2-yl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-ethoxybenzamide?
The InChIKey is KAACXCRNBXBUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-17-11-8-6-5-7-10(11)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)-2-ethoxybenzamide?
N-(2-cyanopropan-2-yl)-2-ethoxybenzamide has a molecular weight of 232.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-ethoxybenzamide is sourced from PubChem (CID 54904382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).