1,1-diethyl-3-(2-oxopropyl)urea

C8H16N2O2 — CID 10888384

IUPAC1,1-diethyl-3-(2-oxopropyl)urea
SMILESCCN(CC)C(=O)NCC(C)=O
InChIInChI=1S/C8H16N2O2/c1-4-10(5-2)8(12)9-6-7(3)11/h4-6H2,1-3H3,(H,9,12)
InChIKeyGAIUIKNHMQQFCR-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.63
Rot. Bonds4

About 1,1-diethyl-3-(2-oxopropyl)urea

1,1-diethyl-3-(2-oxopropyl)urea (PubChem CID 10888384) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-oxopropyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-oxopropyl)urea
PubChem CID10888384
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1,1-diethyl-3-(2-oxopropyl)urea
SMILESCCN(CC)C(=O)NCC(C)=O
InChIInChI=1S/C8H16N2O2/c1-4-10(5-2)8(12)9-6-7(3)11/h4-6H2,1-3H3,(H,9,12)
InChIKeyGAIUIKNHMQQFCR-UHFFFAOYSA-N
XLogP0.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-oxopropyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-oxopropyl)urea (CID 10888384) is 1,1-diethyl-3-(2-oxopropyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-oxopropyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-oxopropyl)urea is CCN(CC)C(=O)NCC(C)=O.
What is the InChIKey of 1,1-diethyl-3-(2-oxopropyl)urea?
The InChIKey is GAIUIKNHMQQFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-10(5-2)8(12)9-6-7(3)11/h4-6H2,1-3H3,(H,9,12).
What are the key properties of 1,1-diethyl-3-(2-oxopropyl)urea?
1,1-diethyl-3-(2-oxopropyl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-oxopropyl)urea is sourced from PubChem (CID 10888384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).