1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea

C11H20N2O3 — CID 115758905

IUPAC1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
SMILESO=C(NCC1CCCOC1)NC1CCOC1
InChIInChI=1S/C11H20N2O3/c14-11(13-10-3-5-16-8-10)12-6-9-2-1-4-15-7-9/h9-10H,1-8H2,(H2,12,13,14)
InChIKeyNPTBFMIKCLASTE-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.50
Rot. Bonds3

About 1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea

1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea (PubChem CID 115758905) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
PubChem CID115758905
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
SMILESO=C(NCC1CCCOC1)NC1CCOC1
InChIInChI=1S/C11H20N2O3/c14-11(13-10-3-5-16-8-10)12-6-9-2-1-4-15-7-9/h9-10H,1-8H2,(H2,12,13,14)
InChIKeyNPTBFMIKCLASTE-UHFFFAOYSA-N
XLogP0.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea
CID 107295552
1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321980
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321834
1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
CID 154765265
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 116655203
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea (CID 115758905) is 1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea is O=C(NCC1CCCOC1)NC1CCOC1.
What is the InChIKey of 1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea?
The InChIKey is NPTBFMIKCLASTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-11(13-10-3-5-16-8-10)12-6-9-2-1-4-15-7-9/h9-10H,1-8H2,(H2,12,13,14).
What are the key properties of 1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea?
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea has a molecular weight of 228.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115758905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).