5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide

C13H18N4O2 — CID 55221201

IUPAC5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide
SMILESCOCCN(CCC#N)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C13H18N4O2/c1-19-8-7-17(6-2-5-14)12-4-3-10(15)9-11(12)13(16)18/h3-4,9H,2,6-8,15H2,1H3,(H2,16,18)
InChIKeyHJINECAWVGZWIZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.73
Rot. Bonds7

About 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide

5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide (PubChem CID 55221201) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide
PubChem CID55221201
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide
SMILESCOCCN(CCC#N)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C13H18N4O2/c1-19-8-7-17(6-2-5-14)12-4-3-10(15)9-11(12)13(16)18/h3-4,9H,2,6-8,15H2,1H3,(H2,16,18)
InChIKeyHJINECAWVGZWIZ-UHFFFAOYSA-N
XLogP0.73
TPSA105.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide 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-[bis(2-methoxyethyl)amino]-5-chlorobenzamide
CID 139902291
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide
CID 113467671
5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide
CID 114090352
3-[2-acetyl-5-bromo-N-(2-methoxyethyl)anilino]propanenitrile
CID 82966580
methyl 5-amino-3-chloro-2-[2-cyanoethyl(2-methoxyethyl)amino]benzoate
CID 107195834
5-amino-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 55136103
3-[2-amino-3-fluoro-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285622
ethyl 5-amino-2-[2-methoxyethyl(methyl)amino]benzoate
CID 61428258
3-[4-[2-cyanoethyl(2-methoxyethyl)amino]-3-fluorophenyl]prop-2-enoic acid
CID 76993769
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]benzoate
CID 54997374
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63284227

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide?
The IUPAC name of 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide (CID 55221201) is 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide.
What is the SMILES notation for 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide?
The canonical SMILES for 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide is COCCN(CCC#N)c1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide?
The InChIKey is HJINECAWVGZWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-8-7-17(6-2-5-14)12-4-3-10(15)9-11(12)13(16)18/h3-4,9H,2,6-8,15H2,1H3,(H2,16,18).
What are the key properties of 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide?
5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide has a molecular weight of 262.31 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide is sourced from PubChem (CID 55221201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).