1-(2,2-diethyloxan-4-yl)-3-propylurea

C13H26N2O2 — CID 115865557

IUPAC1-(2,2-diethyloxan-4-yl)-3-propylurea
SMILESCCCNC(=O)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C13H26N2O2/c1-4-8-14-12(16)15-11-7-9-17-13(5-2,6-3)10-11/h11H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyXGPKVTKFAWIPON-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.43
Rot. Bonds5

About 1-(2,2-diethyloxan-4-yl)-3-propylurea

1-(2,2-diethyloxan-4-yl)-3-propylurea (PubChem CID 115865557) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2,2-diethyloxan-4-yl)-3-propylurea.

Molecular Properties

Compound Name1-(2,2-diethyloxan-4-yl)-3-propylurea
PubChem CID115865557
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2,2-diethyloxan-4-yl)-3-propylurea
SMILESCCCNC(=O)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C13H26N2O2/c1-4-8-14-12(16)15-11-7-9-17-13(5-2,6-3)10-11/h11H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyXGPKVTKFAWIPON-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyloxan-4-yl)-3-propylurea?
The IUPAC name of 1-(2,2-diethyloxan-4-yl)-3-propylurea (CID 115865557) is 1-(2,2-diethyloxan-4-yl)-3-propylurea.
What is the SMILES notation for 1-(2,2-diethyloxan-4-yl)-3-propylurea?
The canonical SMILES for 1-(2,2-diethyloxan-4-yl)-3-propylurea is CCCNC(=O)NC1CCOC(CC)(CC)C1.
What is the InChIKey of 1-(2,2-diethyloxan-4-yl)-3-propylurea?
The InChIKey is XGPKVTKFAWIPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-8-14-12(16)15-11-7-9-17-13(5-2,6-3)10-11/h11H,4-10H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(2,2-diethyloxan-4-yl)-3-propylurea?
1-(2,2-diethyloxan-4-yl)-3-propylurea has a molecular weight of 242.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyloxan-4-yl)-3-propylurea is sourced from PubChem (CID 115865557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).