N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide

C13H14N4O2 — CID 107467590

IUPACN-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide
SMILESCOc1cccc(C#N)c1NCC(=O)NCCC#N
InChIInChI=1S/C13H14N4O2/c1-19-11-5-2-4-10(8-15)13(11)17-9-12(18)16-7-3-6-14/h2,4-5,17H,3,7,9H2,1H3,(H,16,18)
InChIKeyYQRRAIQGFJNZFZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.01
Rot. Bonds6

About N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide

N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide (PubChem CID 107467590) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide
PubChem CID107467590
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide
SMILESCOc1cccc(C#N)c1NCC(=O)NCCC#N
InChIInChI=1S/C13H14N4O2/c1-19-11-5-2-4-10(8-15)13(11)17-9-12(18)16-7-3-6-14/h2,4-5,17H,3,7,9H2,1H3,(H,16,18)
InChIKeyYQRRAIQGFJNZFZ-UHFFFAOYSA-N
XLogP1.01
TPSA97.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 107467410
N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 107467761
3-methoxy-2-[2-(2-methoxyethoxy)ethylamino]benzonitrile
CID 107467475
2-amino-3-(2-cyano-6-methoxyanilino)propanamide
CID 107468750
2-[2-(2-hydroxyethoxy)ethylamino]-3-methoxybenzonitrile
CID 107467521
1-butyl-3-(2-cyano-6-methoxyphenyl)urea
CID 107467258
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-cyanoethyl)acetamide
CID 28572795
2-(but-2-ynylamino)-3-methoxybenzonitrile
CID 107467432
N-(2-cyanoethyl)-2-(3,4-dicyanoanilino)acetamide
CID 107789307
2-(2-ethoxyethylamino)-3-methoxybenzonitrile
CID 107467427
1-(2-cyano-6-methoxyphenyl)-3-pentylurea
CID 10377977
ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate
CID 107467674

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide (CID 107467590) is N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide is COc1cccc(C#N)c1NCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide?
The InChIKey is YQRRAIQGFJNZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-19-11-5-2-4-10(8-15)13(11)17-9-12(18)16-7-3-6-14/h2,4-5,17H,3,7,9H2,1H3,(H,16,18).
What are the key properties of N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide?
N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide has a molecular weight of 258.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide is sourced from PubChem (CID 107467590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).