3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea

C18H30N4O3 — CID 72838096

IUPAC3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(=O)N1CCC2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C18H30N4O3/c1-20(2)17(25)19-12-15(23)21-11-9-18(13-21)8-5-10-22(16(18)24)14-6-3-4-7-14/h14H,3-13H2,1-2H3,(H,19,25)
InChIKeyOLYKIPOAKCJTRZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.04
Rot. Bonds3

About 3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea

3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea (PubChem CID 72838096) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea
PubChem CID72838096
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(=O)N1CCC2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C18H30N4O3/c1-20(2)17(25)19-12-15(23)21-11-9-18(13-21)8-5-10-22(16(18)24)14-6-3-4-7-14/h14H,3-13H2,1-2H3,(H,19,25)
InChIKeyOLYKIPOAKCJTRZ-UHFFFAOYSA-N
XLogP1.04
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea with MolForge

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Related Compounds

1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 71989763
2-Isobutyl-8-[(2-oxoimidazolidin-4-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72917943
1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493711
3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.5^{6}.3^{5}]tetradecane-13-carboxamide
CID 118742205
5-[2-(2,9-Diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 172436080
7-Cyclopentyl-2-[(4-methylpiperazin-1-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918288
3-[2-[(5S)-7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea
CID 97116583
(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97125831
3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea
CID 97131929
1-N-cyclopentyl-3-N-(2,5-dioxopyrrolidin-3-yl)-3-N-ethylpiperidine-1,3-dicarboxamide
CID 127389894
8-(Cyclopentanecarbonyl)-2,4-bis(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 45988268
N-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]urea
CID 72918882

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea (CID 72838096) is 3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea is CN(C)C(=O)NCC(=O)N1CCC2(CCCN(C3CCCC3)C2=O)C1.
What is the InChIKey of 3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea?
The InChIKey is OLYKIPOAKCJTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-20(2)17(25)19-12-15(23)21-11-9-18(13-21)8-5-10-22(16(18)24)14-6-3-4-7-14/h14H,3-13H2,1-2H3,(H,19,25).
What are the key properties of 3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea?
3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea has a molecular weight of 350.46 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,1-dimethylurea is sourced from PubChem (CID 72838096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).