2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C19H20N4O2 — CID 2462073

IUPAC2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C19H20N4O2/c1-14-7-9-16(10-8-14)21-18(24)12-23(2)13-19(25)22-17-6-4-3-5-15(17)11-20/h3-10H,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySJEAINZRCVVYIF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.38
Rot. Bonds6

About 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 2462073) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID2462073
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C19H20N4O2/c1-14-7-9-16(10-8-14)21-18(24)12-23(2)13-19(25)22-17-6-4-3-5-15(17)11-20/h3-10H,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySJEAINZRCVVYIF-UHFFFAOYSA-N
XLogP2.38
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 2462073) is 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is SJEAINZRCVVYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-7-9-16(10-8-14)21-18(24)12-23(2)13-19(25)22-17-6-4-3-5-15(17)11-20/h3-10H,12-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2462073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).