3-cyano-N-(2,5-diethoxyphenyl)benzamide

C18H18N2O3 — CID 29455083

IUPAC3-cyano-N-(2,5-diethoxyphenyl)benzamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C18H18N2O3/c1-3-22-15-8-9-17(23-4-2)16(11-15)20-18(21)14-7-5-6-13(10-14)12-19/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeyOOOSQITVLKSXNV-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.61
Rot. Bonds6

About 3-cyano-N-(2,5-diethoxyphenyl)benzamide

3-cyano-N-(2,5-diethoxyphenyl)benzamide (PubChem CID 29455083) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-cyano-N-(2,5-diethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2,5-diethoxyphenyl)benzamide
PubChem CID29455083
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-cyano-N-(2,5-diethoxyphenyl)benzamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C18H18N2O3/c1-3-22-15-8-9-17(23-4-2)16(11-15)20-18(21)14-7-5-6-13(10-14)12-19/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeyOOOSQITVLKSXNV-UHFFFAOYSA-N
XLogP3.61
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyanobenzoyl)amino]-4-propoxybenzoic acid
CID 110493770
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7927430
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 7936853
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide
CID 9490111
3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 38562779
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CID 43000684

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,5-diethoxyphenyl)benzamide?
The IUPAC name of 3-cyano-N-(2,5-diethoxyphenyl)benzamide (CID 29455083) is 3-cyano-N-(2,5-diethoxyphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2,5-diethoxyphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(2,5-diethoxyphenyl)benzamide is CCOc1ccc(OCC)c(NC(=O)c2cccc(C#N)c2)c1.
What is the InChIKey of 3-cyano-N-(2,5-diethoxyphenyl)benzamide?
The InChIKey is OOOSQITVLKSXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-22-15-8-9-17(23-4-2)16(11-15)20-18(21)14-7-5-6-13(10-14)12-19/h5-11H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 3-cyano-N-(2,5-diethoxyphenyl)benzamide?
3-cyano-N-(2,5-diethoxyphenyl)benzamide has a molecular weight of 310.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,5-diethoxyphenyl)benzamide is sourced from PubChem (CID 29455083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).