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

C19H36N4O2 — CID 90290798

IUPAC1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea
SMILESCCCN1CCCC2(CCN(C(=O)CNC(=O)NCC(C)C)CC2)C1
InChIInChI=1S/C19H36N4O2/c1-4-9-22-10-5-6-19(15-22)7-11-23(12-8-19)17(24)14-21-18(25)20-13-16(2)3/h16H,4-15H2,1-3H3,(H2,20,21,25)
InChIKeyWHJXALFNLNOPPD-UHFFFAOYSA-N
MW352.52 g/mol
LogP2.06
Rot. Bonds6

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

1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea (PubChem CID 90290798) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea
PubChem CID90290798
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea
SMILESCCCN1CCCC2(CCN(C(=O)CNC(=O)NCC(C)C)CC2)C1
InChIInChI=1S/C19H36N4O2/c1-4-9-22-10-5-6-19(15-22)7-11-23(12-8-19)17(24)14-21-18(25)20-13-16(2)3/h16H,4-15H2,1-3H3,(H2,20,21,25)
InChIKeyWHJXALFNLNOPPD-UHFFFAOYSA-N
XLogP2.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea?
The IUPAC name of 1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea (CID 90290798) is 1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea?
The canonical SMILES for 1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea is CCCN1CCCC2(CCN(C(=O)CNC(=O)NCC(C)C)CC2)C1.
What is the InChIKey of 1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea?
The InChIKey is WHJXALFNLNOPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-4-9-22-10-5-6-19(15-22)7-11-23(12-8-19)17(24)14-21-18(25)20-13-16(2)3/h16H,4-15H2,1-3H3,(H2,20,21,25).
What are the key properties of 1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea?
1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea has a molecular weight of 352.52 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea is sourced from PubChem (CID 90290798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).