1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea

C11H22N2O2 — CID 116654204

IUPAC1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea
SMILESCCC(C)N(CC)C(=O)NC1CCOC1
InChIInChI=1S/C11H22N2O2/c1-4-9(3)13(5-2)11(14)12-10-6-7-15-8-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyCDBGBKZNEKJKED-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds4

About 1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea

1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea (PubChem CID 116654204) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea
PubChem CID116654204
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea
SMILESCCC(C)N(CC)C(=O)NC1CCOC1
InChIInChI=1S/C11H22N2O2/c1-4-9(3)13(5-2)11(14)12-10-6-7-15-8-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyCDBGBKZNEKJKED-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea
CID 116654988
1-cyclopropyl-1-ethyl-3-(oxolan-3-yl)urea
CID 115760678
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea
CID 115760645
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(oxolan-3-yl)urea
CID 113321959
2-(butan-2-ylamino)-N-(oxolan-3-yl)acetamide
CID 80713915
1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760744
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760727
(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide
CID 97329335
3-[oxan-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61202946
3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655134

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea?
The IUPAC name of 1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea (CID 116654204) is 1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea is CCC(C)N(CC)C(=O)NC1CCOC1.
What is the InChIKey of 1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea?
The InChIKey is CDBGBKZNEKJKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-9(3)13(5-2)11(14)12-10-6-7-15-8-10/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea?
1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea is sourced from PubChem (CID 116654204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).