2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide

C12H15N3O2 — CID 143732888

IUPAC2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide
SMILESC=Cc1ccc(NC(=O)CNC(=O)CN)cc1
InChIInChI=1S/C12H15N3O2/c1-2-9-3-5-10(6-4-9)15-12(17)8-14-11(16)7-13/h2-6H,1,7-8,13H2,(H,14,16)(H,15,17)
InChIKeyIZXZXSDXDUFBMU-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.34
Rot. Bonds5

About 2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide

2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide (PubChem CID 143732888) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide
PubChem CID143732888
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide
SMILESC=Cc1ccc(NC(=O)CNC(=O)CN)cc1
InChIInChI=1S/C12H15N3O2/c1-2-9-3-5-10(6-4-9)15-12(17)8-14-11(16)7-13/h2-6H,1,7-8,13H2,(H,14,16)(H,15,17)
InChIKeyIZXZXSDXDUFBMU-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide (CID 143732888) is 2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide is C=Cc1ccc(NC(=O)CNC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide?
The InChIKey is IZXZXSDXDUFBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-9-3-5-10(6-4-9)15-12(17)8-14-11(16)7-13/h2-6H,1,7-8,13H2,(H,14,16)(H,15,17).
What are the key properties of 2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide?
2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 143732888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).