3-(diethylamino)-N-(2-hydroxyethyl)propanamide

C9H20N2O2 — CID 87694394

IUPAC3-(diethylamino)-N-(2-hydroxyethyl)propanamide
SMILESCCN(CC)CCC(=O)NCCO
InChIInChI=1S/C9H20N2O2/c1-3-11(4-2)7-5-9(13)10-6-8-12/h12H,3-8H2,1-2H3,(H,10,13)
InChIKeySXJZKKMEZJANSR-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.17
Rot. Bonds7

About 3-(diethylamino)-N-(2-hydroxyethyl)propanamide

3-(diethylamino)-N-(2-hydroxyethyl)propanamide (PubChem CID 87694394) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(diethylamino)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(2-hydroxyethyl)propanamide
PubChem CID87694394
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-(diethylamino)-N-(2-hydroxyethyl)propanamide
SMILESCCN(CC)CCC(=O)NCCO
InChIInChI=1S/C9H20N2O2/c1-3-11(4-2)7-5-9(13)10-6-8-12/h12H,3-8H2,1-2H3,(H,10,13)
InChIKeySXJZKKMEZJANSR-UHFFFAOYSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(diethylamino)-N-(2-hydroxyethyl)propanamide (CID 87694394) is 3-(diethylamino)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(diethylamino)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(diethylamino)-N-(2-hydroxyethyl)propanamide is CCN(CC)CCC(=O)NCCO.
What is the InChIKey of 3-(diethylamino)-N-(2-hydroxyethyl)propanamide?
The InChIKey is SXJZKKMEZJANSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-11(4-2)7-5-9(13)10-6-8-12/h12H,3-8H2,1-2H3,(H,10,13).
What are the key properties of 3-(diethylamino)-N-(2-hydroxyethyl)propanamide?
3-(diethylamino)-N-(2-hydroxyethyl)propanamide has a molecular weight of 188.27 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 87694394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).