3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide

C13H20N4O2 — CID 112688141

IUPAC3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CC/N=C(\N)Nc1ccccc1
InChIInChI=1S/C13H20N4O2/c1-19-10-9-15-12(18)7-8-16-13(14)17-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyGVINIPNAXPTTGW-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.57
Rot. Bonds7

About 3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide

3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 112688141) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide
PubChem CID112688141
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CC/N=C(\N)Nc1ccccc1
InChIInChI=1S/C13H20N4O2/c1-19-10-9-15-12(18)7-8-16-13(14)17-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyGVINIPNAXPTTGW-UHFFFAOYSA-N
XLogP0.57
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide (CID 112688141) is 3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CC/N=C(\N)Nc1ccccc1.
What is the InChIKey of 3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is GVINIPNAXPTTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-10-9-15-12(18)7-8-16-13(14)17-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18)(H3,14,16,17).
What are the key properties of 3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide?
3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(anilino)methylidene]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 112688141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).