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

C18H34N4O2 — CID 90290791

IUPAC1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea
SMILESCCN1CCCC2(CCN(C(=O)CNC(=O)NCC(C)C)CC2)C1
InChIInChI=1S/C18H34N4O2/c1-4-21-9-5-6-18(14-21)7-10-22(11-8-18)16(23)13-20-17(24)19-12-15(2)3/h15H,4-14H2,1-3H3,(H2,19,20,24)
InChIKeyYESNGUCXHGPDTR-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.67
Rot. Bonds5

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

1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea (PubChem CID 90290791) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea
PubChem CID90290791
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea
SMILESCCN1CCCC2(CCN(C(=O)CNC(=O)NCC(C)C)CC2)C1
InChIInChI=1S/C18H34N4O2/c1-4-21-9-5-6-18(14-21)7-10-22(11-8-18)16(23)13-20-17(24)19-12-15(2)3/h15H,4-14H2,1-3H3,(H2,19,20,24)
InChIKeyYESNGUCXHGPDTR-UHFFFAOYSA-N
XLogP1.67
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea (CID 90290791) is 1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea is CCN1CCCC2(CCN(C(=O)CNC(=O)NCC(C)C)CC2)C1.
What is the InChIKey of 1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
The InChIKey is YESNGUCXHGPDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-4-21-9-5-6-18(14-21)7-10-22(11-8-18)16(23)13-20-17(24)19-12-15(2)3/h15H,4-14H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea?
1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea has a molecular weight of 338.50 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 90290791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).