N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide

C17H16N2O3 — CID 8009162

IUPACN-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C#N)cc2)cc(OC)c1C
InChIInChI=1S/C17H16N2O3/c1-11-15(21-2)8-13(9-16(11)22-3)17(20)19-14-6-4-12(10-18)5-7-14/h4-9H,1-3H3,(H,19,20)
InChIKeyITCAMZRVPICRAD-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.14
Rot. Bonds4

About N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide

N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide (PubChem CID 8009162) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
PubChem CID8009162
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C#N)cc2)cc(OC)c1C
InChIInChI=1S/C17H16N2O3/c1-11-15(21-2)8-13(9-16(11)22-3)17(20)19-14-6-4-12(10-18)5-7-14/h4-9H,1-3H3,(H,19,20)
InChIKeyITCAMZRVPICRAD-UHFFFAOYSA-N
XLogP3.14
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
3-amino-N-(4-cyanophenyl)-5-methoxybenzamide
CID 78985323
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269995
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2665776
5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide
CID 110764577
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide (CID 8009162) is N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)Nc2ccc(C#N)cc2)cc(OC)c1C.
What is the InChIKey of N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is ITCAMZRVPICRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-15(21-2)8-13(9-16(11)22-3)17(20)19-14-6-4-12(10-18)5-7-14/h4-9H,1-3H3,(H,19,20).
What are the key properties of N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide?
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 296.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 8009162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).