3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide

C22H26N2O3 — CID 55447660

IUPAC3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
SMILESCCOc1ccc(C(NC(=O)c2cccc(C#N)c2)C(C)C)cc1OCC
InChIInChI=1S/C22H26N2O3/c1-5-26-19-11-10-17(13-20(19)27-6-2)21(15(3)4)24-22(25)18-9-7-8-16(12-18)14-23/h7-13,15,21H,5-6H2,1-4H3,(H,24,25)
InChIKeyKKRZCKRAVBJYCM-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.48
Rot. Bonds8

About 3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide

3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide (PubChem CID 55447660) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
PubChem CID55447660
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
SMILESCCOc1ccc(C(NC(=O)c2cccc(C#N)c2)C(C)C)cc1OCC
InChIInChI=1S/C22H26N2O3/c1-5-26-19-11-10-17(13-20(19)27-6-2)21(15(3)4)24-22(25)18-9-7-8-16(12-18)14-23/h7-13,15,21H,5-6H2,1-4H3,(H,24,25)
InChIKeyKKRZCKRAVBJYCM-UHFFFAOYSA-N
XLogP4.48
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methylsulfonylbenzamide
CID 55447557
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 7936479
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 28831529
3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
CID 24961543
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544
3-cyano-N-(2,5-diethoxyphenyl)benzamide
CID 29455083
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60551019
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766
N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
CID 47087147

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide (CID 55447660) is 3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide is CCOc1ccc(C(NC(=O)c2cccc(C#N)c2)C(C)C)cc1OCC.
What is the InChIKey of 3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is KKRZCKRAVBJYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-5-26-19-11-10-17(13-20(19)27-6-2)21(15(3)4)24-22(25)18-9-7-8-16(12-18)14-23/h7-13,15,21H,5-6H2,1-4H3,(H,24,25).
What are the key properties of 3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide?
3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 55447660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).