3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide

C12H25N3O4 — CID 89096051

IUPAC3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCC(=O)NCCO)CCC(=O)NCCO
InChIInChI=1S/C12H25N3O4/c1-2-15(7-3-11(18)13-5-9-16)8-4-12(19)14-6-10-17/h16-17H,2-10H2,1H3,(H,13,18)(H,14,19)
InChIKeyPKUGCXUWVIJOIL-UHFFFAOYSA-N
MW275.35 g/mol
LogP-1.69
Rot. Bonds11

About 3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide

3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide (PubChem CID 89096051) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide
PubChem CID89096051
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Name3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCC(=O)NCCO)CCC(=O)NCCO
InChIInChI=1S/C12H25N3O4/c1-2-15(7-3-11(18)13-5-9-16)8-4-12(19)14-6-10-17/h16-17H,2-10H2,1H3,(H,13,18)(H,14,19)
InChIKeyPKUGCXUWVIJOIL-UHFFFAOYSA-N
XLogP-1.69
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide (CID 89096051) is 3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide is CCN(CCC(=O)NCCO)CCC(=O)NCCO.
What is the InChIKey of 3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide?
The InChIKey is PKUGCXUWVIJOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-2-15(7-3-11(18)13-5-9-16)8-4-12(19)14-6-10-17/h16-17H,2-10H2,1H3,(H,13,18)(H,14,19).
What are the key properties of 3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide?
3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of -1.69, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 89096051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).