2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea

C20H30N4O4 — CID 119062821

IUPAC2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea
SMILESCOc1cccc(CN2CCCC3(CCN(CCNC(N)=O)C3)C2=O)c1OC
InChIInChI=1S/C20H30N4O4/c1-27-16-6-3-5-15(17(16)28-2)13-24-10-4-7-20(18(24)25)8-11-23(14-20)12-9-22-19(21)26/h3,5-6H,4,7-14H2,1-2H3,(H3,21,22,26)
InChIKeySCUFZTMOQHVNHL-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.19
Rot. Bonds7

About 2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea

2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea (PubChem CID 119062821) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea.

Molecular Properties

Compound Name2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea
PubChem CID119062821
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea
SMILESCOc1cccc(CN2CCCC3(CCN(CCNC(N)=O)C3)C2=O)c1OC
InChIInChI=1S/C20H30N4O4/c1-27-16-6-3-5-15(17(16)28-2)13-24-10-4-7-20(18(24)25)8-11-23(14-20)12-9-22-19(21)26/h3,5-6H,4,7-14H2,1-2H3,(H3,21,22,26)
InChIKeySCUFZTMOQHVNHL-UHFFFAOYSA-N
XLogP1.19
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea?
The IUPAC name of 2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea (CID 119062821) is 2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea.
What is the SMILES notation for 2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea?
The canonical SMILES for 2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea is COc1cccc(CN2CCCC3(CCN(CCNC(N)=O)C3)C2=O)c1OC.
What is the InChIKey of 2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea?
The InChIKey is SCUFZTMOQHVNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-27-16-6-3-5-15(17(16)28-2)13-24-10-4-7-20(18(24)25)8-11-23(14-20)12-9-22-19(21)26/h3,5-6H,4,7-14H2,1-2H3,(H3,21,22,26).
What are the key properties of 2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea?
2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea has a molecular weight of 390.48 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea is sourced from PubChem (CID 119062821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).