2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide

C13H19N3O3 — CID 51106342

IUPAC2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(CC(C)O)c1ccccc1
InChIInChI=1S/C13H19N3O3/c1-10(17)8-16(11-6-4-3-5-7-11)9-12(18)15-13(19)14-2/h3-7,10,17H,8-9H2,1-2H3,(H2,14,15,18,19)
InChIKeyUXCUAJRCFSXEOC-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.33
Rot. Bonds5

About 2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide

2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide (PubChem CID 51106342) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide
PubChem CID51106342
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(CC(C)O)c1ccccc1
InChIInChI=1S/C13H19N3O3/c1-10(17)8-16(11-6-4-3-5-7-11)9-12(18)15-13(19)14-2/h3-7,10,17H,8-9H2,1-2H3,(H2,14,15,18,19)
InChIKeyUXCUAJRCFSXEOC-UHFFFAOYSA-N
XLogP0.33
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide (CID 51106342) is 2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN(CC(C)O)c1ccccc1.
What is the InChIKey of 2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide?
The InChIKey is UXCUAJRCFSXEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(17)8-16(11-6-4-3-5-7-11)9-12(18)15-13(19)14-2/h3-7,10,17H,8-9H2,1-2H3,(H2,14,15,18,19).
What are the key properties of 2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide?
2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 51106342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).