2-[bis(2-hydroxyethyl)amino]-N-propylacetamide

C9H20N2O3 — CID 60686308

IUPAC2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCO)CCO
InChIInChI=1S/C9H20N2O3/c1-2-3-10-9(14)8-11(4-6-12)5-7-13/h12-13H,2-8H2,1H3,(H,10,14)
InChIKeyFEKPYRCRGYHGHC-UHFFFAOYSA-N
MW204.27 g/mol
LogP-1.20
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]-N-propylacetamide

2-[bis(2-hydroxyethyl)amino]-N-propylacetamide (PubChem CID 60686308) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
PubChem CID60686308
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCO)CCO
InChIInChI=1S/C9H20N2O3/c1-2-3-10-9(14)8-11(4-6-12)5-7-13/h12-13H,2-8H2,1H3,(H,10,14)
InChIKeyFEKPYRCRGYHGHC-UHFFFAOYSA-N
XLogP-1.20
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-propylacetamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-propylacetamide (CID 60686308) is 2-[bis(2-hydroxyethyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N-propylacetamide is CCCNC(=O)CN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N-propylacetamide?
The InChIKey is FEKPYRCRGYHGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-2-3-10-9(14)8-11(4-6-12)5-7-13/h12-13H,2-8H2,1H3,(H,10,14).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N-propylacetamide?
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide has a molecular weight of 204.27 g/mol, XLogP of -1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N-propylacetamide is sourced from PubChem (CID 60686308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).