[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

Related Compounds

3-[2-(4-ethyl-1-piperazinyl)ethyl]-8-(N-methyl-L-alanyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70724574
5-{3-[3-(3-Methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-8-yl]-3-oxopropyl}imidazolidine-2,4-dione
CID 70748060
tert-butyl N-[1-[1-[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]pyrrolidin-3-yl]ethyl]carbamate
CID 75449078
t-Butyl (2s)-2-{[(2s)-4-methyl-1-(morpholin4-yl)-1-oxopentan-2-yl]carbamoyl}pyrrolidine-1carboxylate
CID 145997657
Tert-butyl 4-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazine-1-carboxylate
CID 17393059
3-(3-Methylbutyl)-8-[(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70733414
(2S)-1-[2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 132469075
Tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 22993655
tert-Butyl 3-((2S)-amino-2-methoxycarbonylethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 59093808
tert-Butyl 3-((2S)-amino-2-methoxycarbonylethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-carboxylate
CID 86756622
tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 90731109
Tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-1-carboxylate
CID 91260843

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).