1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea

C11H22N2O3 — CID 115759116

IUPAC1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea
SMILESCOCC(NC(=O)NC1CCOC1)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)10(7-15-3)13-11(14)12-9-4-5-16-6-9/h8-10H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyNFMRDHAFMWLZKL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.75
Rot. Bonds5

About 1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea

1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea (PubChem CID 115759116) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea
PubChem CID115759116
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea
SMILESCOCC(NC(=O)NC1CCOC1)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)10(7-15-3)13-11(14)12-9-4-5-16-6-9/h8-10H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyNFMRDHAFMWLZKL-UHFFFAOYSA-N
XLogP0.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea (CID 115759116) is 1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea is COCC(NC(=O)NC1CCOC1)C(C)C.
What is the InChIKey of 1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea?
The InChIKey is NFMRDHAFMWLZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)10(7-15-3)13-11(14)12-9-4-5-16-6-9/h8-10H,4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea?
1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea has a molecular weight of 230.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).