3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

C18H17N3O3 — CID 7719235

IUPAC3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C18H17N3O3/c1-21(18(23)14-5-3-4-13(10-14)11-19)12-17(22)20-15-6-8-16(24-2)9-7-15/h3-10H,12H2,1-2H3,(H,20,22)
InChIKeyDHLVVJGMKRBZTB-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.28
Rot. Bonds5

About 3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 7719235) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID7719235
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C18H17N3O3/c1-21(18(23)14-5-3-4-13(10-14)11-19)12-17(22)20-15-6-8-16(24-2)9-7-15/h3-10H,12H2,1-2H3,(H,20,22)
InChIKeyDHLVVJGMKRBZTB-UHFFFAOYSA-N
XLogP2.28
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61149660
3-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 27793329
3-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752557
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
CID 9438354
3-cyano-N-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 99829830
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
CID 113164937
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-[2-(3-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092284
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 24980864
4-(dimethylamino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9431432
5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9089320

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (CID 7719235) is 3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is COc1ccc(NC(=O)CN(C)C(=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is DHLVVJGMKRBZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21(18(23)14-5-3-4-13(10-14)11-19)12-17(22)20-15-6-8-16(24-2)9-7-15/h3-10H,12H2,1-2H3,(H,20,22).
What are the key properties of 3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 323.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 7719235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).