1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea

C17H30N2O2 — CID 86769662

IUPAC1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea
SMILESCCC(CC1CC1)NC(=O)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-2-14(11-13-5-6-13)18-16(20)19-15-7-10-21-17(12-15)8-3-4-9-17/h13-15H,2-12H2,1H3,(H2,18,19,20)
InChIKeyAHUOUQBPNOLUMC-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.36
Rot. Bonds5

About 1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea

1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea (PubChem CID 86769662) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea
PubChem CID86769662
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea
SMILESCCC(CC1CC1)NC(=O)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-2-14(11-13-5-6-13)18-16(20)19-15-7-10-21-17(12-15)8-3-4-9-17/h13-15H,2-12H2,1H3,(H2,18,19,20)
InChIKeyAHUOUQBPNOLUMC-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The IUPAC name of 1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea (CID 86769662) is 1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea.
What is the SMILES notation for 1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The canonical SMILES for 1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea is CCC(CC1CC1)NC(=O)NC1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The InChIKey is AHUOUQBPNOLUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-14(11-13-5-6-13)18-16(20)19-15-7-10-21-17(12-15)8-3-4-9-17/h13-15H,2-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea?
1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea has a molecular weight of 294.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylbutan-2-yl)-3-(6-oxaspiro[4.5]decan-9-yl)urea is sourced from PubChem (CID 86769662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).