1-benzyl-3-(2,2-diethyloxan-4-yl)urea

C17H26N2O2 — CID 103867854

IUPAC1-benzyl-3-(2,2-diethyloxan-4-yl)urea
SMILESCCC1(CC)CC(NC(=O)NCc2ccccc2)CCO1
InChIInChI=1S/C17H26N2O2/c1-3-17(4-2)12-15(10-11-21-17)19-16(20)18-13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H2,18,19,20)
InChIKeyWUCBRDHBBIKESM-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.22
Rot. Bonds5

About 1-benzyl-3-(2,2-diethyloxan-4-yl)urea

1-benzyl-3-(2,2-diethyloxan-4-yl)urea (PubChem CID 103867854) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-benzyl-3-(2,2-diethyloxan-4-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2,2-diethyloxan-4-yl)urea
PubChem CID103867854
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-benzyl-3-(2,2-diethyloxan-4-yl)urea
SMILESCCC1(CC)CC(NC(=O)NCc2ccccc2)CCO1
InChIInChI=1S/C17H26N2O2/c1-3-17(4-2)12-15(10-11-21-17)19-16(20)18-13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H2,18,19,20)
InChIKeyWUCBRDHBBIKESM-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557
3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid
CID 83028908
1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea
CID 130792779
2-[(2,2-diethyloxan-4-yl)carbamoylamino]butanoic acid
CID 83028212
4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 82760145
5-[(2,2-diethyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 83035065
2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine
CID 83035842
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine
CID 83035848
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
CID 83033555

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,2-diethyloxan-4-yl)urea?
The IUPAC name of 1-benzyl-3-(2,2-diethyloxan-4-yl)urea (CID 103867854) is 1-benzyl-3-(2,2-diethyloxan-4-yl)urea.
What is the SMILES notation for 1-benzyl-3-(2,2-diethyloxan-4-yl)urea?
The canonical SMILES for 1-benzyl-3-(2,2-diethyloxan-4-yl)urea is CCC1(CC)CC(NC(=O)NCc2ccccc2)CCO1.
What is the InChIKey of 1-benzyl-3-(2,2-diethyloxan-4-yl)urea?
The InChIKey is WUCBRDHBBIKESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-17(4-2)12-15(10-11-21-17)19-16(20)18-13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-benzyl-3-(2,2-diethyloxan-4-yl)urea?
1-benzyl-3-(2,2-diethyloxan-4-yl)urea has a molecular weight of 290.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,2-diethyloxan-4-yl)urea is sourced from PubChem (CID 103867854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).