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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Related Compounds

3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid
CID 83028908
2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide
CID 83032657
1-benzyl-3-(2,2-diethyloxan-4-yl)urea
CID 103867854
2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid
CID 83028212
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034725
N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide
CID 115865884
4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 82760145
N-cyclopropyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032670
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
1-amino-N-(2,2-diethyloxan-4-yl)cyclobutane-1-carboxamide
CID 83028998
(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
CID 83029138

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).