3-ethyl-1-methyl-1-(oxolan-3-yl)urea

C8H16N2O2 — CID 115616986

IUPAC3-ethyl-1-methyl-1-(oxolan-3-yl)urea
SMILESCCNC(=O)N(C)C1CCOC1
InChIInChI=1S/C8H16N2O2/c1-3-9-8(11)10(2)7-4-5-12-6-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyYNYZKRWSJKELEO-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds2

About 3-ethyl-1-methyl-1-(oxolan-3-yl)urea

3-ethyl-1-methyl-1-(oxolan-3-yl)urea (PubChem CID 115616986) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(oxolan-3-yl)urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(oxolan-3-yl)urea
PubChem CID115616986
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-ethyl-1-methyl-1-(oxolan-3-yl)urea
SMILESCCNC(=O)N(C)C1CCOC1
InChIInChI=1S/C8H16N2O2/c1-3-9-8(11)10(2)7-4-5-12-6-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyYNYZKRWSJKELEO-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid
CID 82749425
3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
CID 115695106
2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
CID 43611566
5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 82741959
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742753
3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742368
5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 82740289
6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 82740104
2-[[methyl(oxolan-3-yl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 82742681
3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
CID 82738625

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(oxolan-3-yl)urea?
The IUPAC name of 3-ethyl-1-methyl-1-(oxolan-3-yl)urea (CID 115616986) is 3-ethyl-1-methyl-1-(oxolan-3-yl)urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-(oxolan-3-yl)urea?
The canonical SMILES for 3-ethyl-1-methyl-1-(oxolan-3-yl)urea is CCNC(=O)N(C)C1CCOC1.
What is the InChIKey of 3-ethyl-1-methyl-1-(oxolan-3-yl)urea?
The InChIKey is YNYZKRWSJKELEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-9-8(11)10(2)7-4-5-12-6-7/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 3-ethyl-1-methyl-1-(oxolan-3-yl)urea?
3-ethyl-1-methyl-1-(oxolan-3-yl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-(oxolan-3-yl)urea is sourced from PubChem (CID 115616986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).