1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea

C16H30N4O2 — CID 118021368

IUPAC1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC(=O)N1CCC2(CCCNC2)CC1
InChIInChI=1S/C16H30N4O2/c1-13(2)10-18-15(22)19-11-14(21)20-8-5-16(6-9-20)4-3-7-17-12-16/h13,17H,3-12H2,1-2H3,(H2,18,19,22)
InChIKeyUQFUQUKOGDFACE-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.93
Rot. Bonds4

About 1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea

1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea (PubChem CID 118021368) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea
PubChem CID118021368
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC(=O)N1CCC2(CCCNC2)CC1
InChIInChI=1S/C16H30N4O2/c1-13(2)10-18-15(22)19-11-14(21)20-8-5-16(6-9-20)4-3-7-17-12-16/h13,17H,3-12H2,1-2H3,(H2,18,19,22)
InChIKeyUQFUQUKOGDFACE-UHFFFAOYSA-N
XLogP0.93
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea (CID 118021368) is 1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)NCC(=O)N1CCC2(CCCNC2)CC1.
What is the InChIKey of 1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
The InChIKey is UQFUQUKOGDFACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-13(2)10-18-15(22)19-11-14(21)20-8-5-16(6-9-20)4-3-7-17-12-16/h13,17H,3-12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea has a molecular weight of 310.44 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 118021368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).