N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

C12H23N3O2 — CID 118738752

IUPACN-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC2(CCCNC2)C1
InChIInChI=1S/C12H23N3O2/c1-10(2)14-11(16)15-6-7-17-12(9-15)4-3-5-13-8-12/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyOPPPPJULWZZIFB-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.56
Rot. Bonds1

About N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 118738752) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID118738752
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC2(CCCNC2)C1
InChIInChI=1S/C12H23N3O2/c1-10(2)14-11(16)15-6-7-17-12(9-15)4-3-5-13-8-12/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyOPPPPJULWZZIFB-UHFFFAOYSA-N
XLogP0.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (CID 118738752) is N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is CC(C)NC(=O)N1CCOC2(CCCNC2)C1.
What is the InChIKey of N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is OPPPPJULWZZIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(2)14-11(16)15-6-7-17-12(9-15)4-3-5-13-8-12/h10,13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 118738752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).