2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide

C10H21N3O4 — CID 60686309

IUPAC2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(CCO)CCO
InChIInChI=1S/C10H21N3O4/c1-2-3-11-10(17)12-9(16)8-13(4-6-14)5-7-15/h14-15H,2-8H2,1H3,(H2,11,12,16,17)
InChIKeyCIDHXIACXHVTRS-UHFFFAOYSA-N
MW247.29 g/mol
LogP-1.49
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide

2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide (PubChem CID 60686309) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
PubChem CID60686309
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(CCO)CCO
InChIInChI=1S/C10H21N3O4/c1-2-3-11-10(17)12-9(16)8-13(4-6-14)5-7-15/h14-15H,2-8H2,1H3,(H2,11,12,16,17)
InChIKeyCIDHXIACXHVTRS-UHFFFAOYSA-N
XLogP-1.49
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 60686668
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 31994044
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide
CID 78962583
2-bromo-N-(propylcarbamoyl)acetamide
CID 81223054
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926
N-(furan-2-ylmethylcarbamoyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691736
N-(propylcarbamoyl)butanamide
CID 12936931
2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide
CID 146142232
2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61007591
2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide
CID 106635938

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide (CID 60686309) is 2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide?
The InChIKey is CIDHXIACXHVTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-2-3-11-10(17)12-9(16)8-13(4-6-14)5-7-15/h14-15H,2-8H2,1H3,(H2,11,12,16,17).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide?
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide has a molecular weight of 247.29 g/mol, XLogP of -1.49, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 60686309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).