3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea

C18H30N4O3 — CID 97131929

IUPAC3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C18H30N4O3/c1-20(2)17(25)19-11-15(23)22-10-8-18(13-22)7-4-9-21(16(18)24)12-14-5-3-6-14/h14H,3-13H2,1-2H3,(H,19,25)/t18-/m0/s1
InChIKeySMRXYPKAYNPNQP-SFHVURJKSA-N
MW350.46 g/mol
LogP0.90
Rot. Bonds4

About 3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea

3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea (PubChem CID 97131929) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea
PubChem CID97131929
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C18H30N4O3/c1-20(2)17(25)19-11-15(23)22-10-8-18(13-22)7-4-9-21(16(18)24)12-14-5-3-6-14/h14H,3-13H2,1-2H3,(H,19,25)/t18-/m0/s1
InChIKeySMRXYPKAYNPNQP-SFHVURJKSA-N
XLogP0.90
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea with MolForge

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Related Compounds

2-Isobutyl-8-[(2-oxoimidazolidin-4-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72917943
3-[2-[(5S)-7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea
CID 97116583
(5S)-N-(2-cyclobutyl-2-methylpropyl)-3-oxo-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 164633869
N-{2-[7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-2-oxoethyl}acetamide
CID 45249817
N-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]urea
CID 72918882
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[[3,3-dimethyl-1-(3-methyl-2-oxo-1,3-diazinan-1-yl)butan-2-yl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide
CID 68324048
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[[3-methyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide
CID 68324052
(2S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143314654
(2S)-N-(3-amino-2,3-dioxopropyl)-1-[(2S)-2-[[(2S)-3,3-dimethyl-1-(3-methyl-2-oxo-1,3-diazinan-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;methylcyclobutane
CID 143352070
(2S,4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoylamino]butanoyl]-4-methylpyrrolidine-2-carboxamide
CID 143355031
(2S)-1-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2-oxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-(3-methyl-1-oxamoylcyclobutyl)pyrrolidine-2-carboxamide
CID 143744049
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[3,3-dimethyl-1-(2-oxo-1,3-diazinan-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 163883813

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea (CID 97131929) is 3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea is CN(C)C(=O)NCC(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of 3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea?
The InChIKey is SMRXYPKAYNPNQP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-20(2)17(25)19-11-15(23)22-10-8-18(13-22)7-4-9-21(16(18)24)12-14-5-3-6-14/h14H,3-13H2,1-2H3,(H,19,25)/t18-/m0/s1.
What are the key properties of 3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea?
3-[2-[(5S)-7-(cyclobutylmethyl)-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 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,1-dimethylurea is sourced from PubChem (CID 97131929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).