4-cyano-N-(2,2-diethoxyethyl)benzamide

C14H18N2O3 — CID 78909770

IUPAC4-cyano-N-(2,2-diethoxyethyl)benzamide
SMILESCCOC(CNC(=O)c1ccc(C#N)cc1)OCC
InChIInChI=1S/C14H18N2O3/c1-3-18-13(19-4-2)10-16-14(17)12-7-5-11(9-15)6-8-12/h5-8,13H,3-4,10H2,1-2H3,(H,16,17)
InChIKeyPHPFAAPDORTCIA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.69
Rot. Bonds7

About 4-cyano-N-(2,2-diethoxyethyl)benzamide

4-cyano-N-(2,2-diethoxyethyl)benzamide (PubChem CID 78909770) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-cyano-N-(2,2-diethoxyethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2,2-diethoxyethyl)benzamide
PubChem CID78909770
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-cyano-N-(2,2-diethoxyethyl)benzamide
SMILESCCOC(CNC(=O)c1ccc(C#N)cc1)OCC
InChIInChI=1S/C14H18N2O3/c1-3-18-13(19-4-2)10-16-14(17)12-7-5-11(9-15)6-8-12/h5-8,13H,3-4,10H2,1-2H3,(H,16,17)
InChIKeyPHPFAAPDORTCIA-UHFFFAOYSA-N
XLogP1.69
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-(2-propoxybutyl)benzamide
CID 142176975
N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
CID 78909661
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512
N-[(2S)-2-amino-3-methylbutyl]-4-cyanobenzamide;hydrochloride
CID 69484483
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
3-cyano-N-(2-ethoxypropyl)benzamide
CID 113241599
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726717
4-bromo-N-(2,2-diethoxyethyl)-3-fluorobenzamide
CID 79547974
4-cyano-N-decylbenzamide
CID 14179073

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,2-diethoxyethyl)benzamide?
The IUPAC name of 4-cyano-N-(2,2-diethoxyethyl)benzamide (CID 78909770) is 4-cyano-N-(2,2-diethoxyethyl)benzamide.
What is the SMILES notation for 4-cyano-N-(2,2-diethoxyethyl)benzamide?
The canonical SMILES for 4-cyano-N-(2,2-diethoxyethyl)benzamide is CCOC(CNC(=O)c1ccc(C#N)cc1)OCC.
What is the InChIKey of 4-cyano-N-(2,2-diethoxyethyl)benzamide?
The InChIKey is PHPFAAPDORTCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-18-13(19-4-2)10-16-14(17)12-7-5-11(9-15)6-8-12/h5-8,13H,3-4,10H2,1-2H3,(H,16,17).
What are the key properties of 4-cyano-N-(2,2-diethoxyethyl)benzamide?
4-cyano-N-(2,2-diethoxyethyl)benzamide has a molecular weight of 262.31 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2,2-diethoxyethyl)benzamide is sourced from PubChem (CID 78909770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).