3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide

C9H20N2O4 — CID 57132985

IUPAC3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCN(CCO)CCO)NCCO
InChIInChI=1S/C9H20N2O4/c12-6-2-10-9(15)1-3-11(4-7-13)5-8-14/h12-14H,1-8H2,(H,10,15)
InChIKeyFEUKGCBQTFHVEH-UHFFFAOYSA-N
MW220.27 g/mol
LogP-2.23
Rot. Bonds9

About 3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide

3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide (PubChem CID 57132985) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide
PubChem CID57132985
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCN(CCO)CCO)NCCO
InChIInChI=1S/C9H20N2O4/c12-6-2-10-9(15)1-3-11(4-7-13)5-8-14/h12-14H,1-8H2,(H,10,15)
InChIKeyFEUKGCBQTFHVEH-UHFFFAOYSA-N
XLogP-2.23
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide (CID 57132985) is 3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide is O=C(CCN(CCO)CCO)NCCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide?
The InChIKey is FEUKGCBQTFHVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4/c12-6-2-10-9(15)1-3-11(4-7-13)5-8-14/h12-14H,1-8H2,(H,10,15).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide?
3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide has a molecular weight of 220.27 g/mol, XLogP of -2.23, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 57132985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).