2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide

C12H14N4O2 — CID 62921927

IUPAC2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide
SMILESCc1ccc(C#N)c(N(CC(N)=O)CC(N)=O)c1
InChIInChI=1S/C12H14N4O2/c1-8-2-3-9(5-13)10(4-8)16(6-11(14)17)7-12(15)18/h2-4H,6-7H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyDMRIHQBSAWRHIE-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.36
Rot. Bonds5

About 2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide

2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide (PubChem CID 62921927) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide.

Molecular Properties

Compound Name2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide
PubChem CID62921927
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide
SMILESCc1ccc(C#N)c(N(CC(N)=O)CC(N)=O)c1
InChIInChI=1S/C12H14N4O2/c1-8-2-3-9(5-13)10(4-8)16(6-11(14)17)7-12(15)18/h2-4H,6-7H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyDMRIHQBSAWRHIE-UHFFFAOYSA-N
XLogP-0.36
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyano-N,4-dimethylanilino)acetamide
CID 107927039
2-(2-cyano-N,5-dimethylanilino)acetic acid
CID 62308954
2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile
CID 62303454
methyl 2-(2-cyano-N,5-dimethylanilino)acetate
CID 62308388
ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate
CID 62308708
2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide
CID 115367475
2-(N-(2-amino-2-oxoethyl)-2-cyano-4-formylanilino)acetamide
CID 114063273
2-(4-bromo-2-cyano-N-ethylanilino)acetamide
CID 103102407
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile
CID 107479568
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methylbenzonitrile
CID 62301790
2-cyano-5-methylbenzoic acid
CID 66570727
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-4-methylbenzonitrile
CID 79662187

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide?
The IUPAC name of 2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide (CID 62921927) is 2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide.
What is the SMILES notation for 2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide?
The canonical SMILES for 2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide is Cc1ccc(C#N)c(N(CC(N)=O)CC(N)=O)c1.
What is the InChIKey of 2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide?
The InChIKey is DMRIHQBSAWRHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-2-3-9(5-13)10(4-8)16(6-11(14)17)7-12(15)18/h2-4H,6-7H2,1H3,(H2,14,17)(H2,15,18).
What are the key properties of 2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide?
2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide has a molecular weight of 246.27 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide is sourced from PubChem (CID 62921927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).