N-(2-cyanophenyl)-2-(methylamino)acetamide

C10H11N3O — CID 24697085

IUPACN-(2-cyanophenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C10H11N3O/c1-12-7-10(14)13-9-5-3-2-4-8(9)6-11/h2-5,12H,7H2,1H3,(H,13,14)
InChIKeyCGOJJPIRZLOTCV-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.72
Rot. Bonds3

About N-(2-cyanophenyl)-2-(methylamino)acetamide

N-(2-cyanophenyl)-2-(methylamino)acetamide (PubChem CID 24697085) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(methylamino)acetamide
PubChem CID24697085
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-(2-cyanophenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C10H11N3O/c1-12-7-10(14)13-9-5-3-2-4-8(9)6-11/h2-5,12H,7H2,1H3,(H,13,14)
InChIKeyCGOJJPIRZLOTCV-UHFFFAOYSA-N
XLogP0.72
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(2-cyanoanilino)-2-oxoethyl]carbamate
CID 113001850
2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide
CID 109010015
(2S)-2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194298
ethyl 3-(2-cyanoanilino)-3-oxopropanoate
CID 14663489
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457
N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30716981
N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392611

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(methylamino)acetamide (CID 24697085) is N-(2-cyanophenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(methylamino)acetamide is CNCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-(methylamino)acetamide?
The InChIKey is CGOJJPIRZLOTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-12-7-10(14)13-9-5-3-2-4-8(9)6-11/h2-5,12H,7H2,1H3,(H,13,14).
What are the key properties of N-(2-cyanophenyl)-2-(methylamino)acetamide?
N-(2-cyanophenyl)-2-(methylamino)acetamide has a molecular weight of 189.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 24697085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).