[3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea

C18H32N4O4 — CID 70785129

IUPAC[3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea
SMILESCC(C)CCN1CC2(CCN(C(=O)C(NC(N)=O)C(C)C)CC2)OC1=O
InChIInChI=1S/C18H32N4O4/c1-12(2)5-8-22-11-18(26-17(22)25)6-9-21(10-7-18)15(23)14(13(3)4)20-16(19)24/h12-14H,5-11H2,1-4H3,(H3,19,20,24)
InChIKeyMMYFYZCEIJKUJO-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.54
Rot. Bonds6

About [3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea

[3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea (PubChem CID 70785129) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is [3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea
PubChem CID70785129
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Name[3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea
SMILESCC(C)CCN1CC2(CCN(C(=O)C(NC(N)=O)C(C)C)CC2)OC1=O
InChIInChI=1S/C18H32N4O4/c1-12(2)5-8-22-11-18(26-17(22)25)6-9-21(10-7-18)15(23)14(13(3)4)20-16(19)24/h12-14H,5-11H2,1-4H3,(H3,19,20,24)
InChIKeyMMYFYZCEIJKUJO-UHFFFAOYSA-N
XLogP1.54
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea?
The IUPAC name of [3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea (CID 70785129) is [3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea.
What is the SMILES notation for [3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea?
The canonical SMILES for [3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea is CC(C)CCN1CC2(CCN(C(=O)C(NC(N)=O)C(C)C)CC2)OC1=O.
What is the InChIKey of [3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea?
The InChIKey is MMYFYZCEIJKUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c1-12(2)5-8-22-11-18(26-17(22)25)6-9-21(10-7-18)15(23)14(13(3)4)20-16(19)24/h12-14H,5-11H2,1-4H3,(H3,19,20,24).
What are the key properties of [3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea?
[3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea has a molecular weight of 368.48 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]urea is sourced from PubChem (CID 70785129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).