N-(4-cyanophenyl)-3,4,5-triethoxybenzamide

C20H22N2O4 — CID 1129663

IUPACN-(4-cyanophenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C#N)cc2)cc(OCC)c1OCC
InChIInChI=1S/C20H22N2O4/c1-4-24-17-11-15(12-18(25-5-2)19(17)26-6-3)20(23)22-16-9-7-14(13-21)8-10-16/h7-12H,4-6H2,1-3H3,(H,22,23)
InChIKeyBFYCJKUZYHOFHC-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.01
Rot. Bonds8

About N-(4-cyanophenyl)-3,4,5-triethoxybenzamide

N-(4-cyanophenyl)-3,4,5-triethoxybenzamide (PubChem CID 1129663) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3,4,5-triethoxybenzamide
PubChem CID1129663
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(4-cyanophenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C#N)cc2)cc(OCC)c1OCC
InChIInChI=1S/C20H22N2O4/c1-4-24-17-11-15(12-18(25-5-2)19(17)26-6-3)20(23)22-16-9-7-14(13-21)8-10-16/h7-12H,4-6H2,1-3H3,(H,22,23)
InChIKeyBFYCJKUZYHOFHC-UHFFFAOYSA-N
XLogP4.01
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide
CID 26980395
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 8009162
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 108922676
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 1346461
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(4-cyanophenyl)-3,4,5-triethoxybenzamide (CID 1129663) is N-(4-cyanophenyl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(4-cyanophenyl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccc(C#N)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-(4-cyanophenyl)-3,4,5-triethoxybenzamide?
The InChIKey is BFYCJKUZYHOFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-24-17-11-15(12-18(25-5-2)19(17)26-6-3)20(23)22-16-9-7-14(13-21)8-10-16/h7-12H,4-6H2,1-3H3,(H,22,23).
What are the key properties of N-(4-cyanophenyl)-3,4,5-triethoxybenzamide?
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide has a molecular weight of 354.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 1129663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).