1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea

C16H30N4O2 — CID 154021172

IUPAC1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC(=O)C1CCNCC12CCNCC2
InChIInChI=1S/C16H30N4O2/c1-12(2)9-19-15(22)20-10-14(21)13-3-6-18-11-16(13)4-7-17-8-5-16/h12-13,17-18H,3-11H2,1-2H3,(H2,19,20,22)
InChIKeyXHFCDYIBTUUCCC-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.49
Rot. Bonds5

About 1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea

1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea (PubChem CID 154021172) 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-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea
PubChem CID154021172
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC(=O)C1CCNCC12CCNCC2
InChIInChI=1S/C16H30N4O2/c1-12(2)9-19-15(22)20-10-14(21)13-3-6-18-11-16(13)4-7-17-8-5-16/h12-13,17-18H,3-11H2,1-2H3,(H2,19,20,22)
InChIKeyXHFCDYIBTUUCCC-UHFFFAOYSA-N
XLogP0.49
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea (CID 154021172) is 1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)NCC(=O)C1CCNCC12CCNCC2.
What is the InChIKey of 1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
The InChIKey is XHFCDYIBTUUCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-12(2)9-19-15(22)20-10-14(21)13-3-6-18-11-16(13)4-7-17-8-5-16/h12-13,17-18H,3-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea has a molecular weight of 310.44 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,9-diazaspiro[5.5]undecan-5-yl)-2-oxoethyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 154021172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).