3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C18H26N4O3 — CID 118741165

IUPAC3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCN(C)C(=O)NC1COC2(CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C18H26N4O3/c1-21(2)16(23)20-15-12-18(25-13-15)8-10-22(11-9-18)17(24)19-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyJHXQOPBYBSWCDC-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.11
Rot. Bonds2

About 3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 118741165) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID118741165
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCN(C)C(=O)NC1COC2(CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C18H26N4O3/c1-21(2)16(23)20-15-12-18(25-13-15)8-10-22(11-9-18)17(24)19-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyJHXQOPBYBSWCDC-UHFFFAOYSA-N
XLogP2.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 118741165) is 3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is CN(C)C(=O)NC1COC2(CCN(C(=O)Nc3ccccc3)CC2)C1.
What is the InChIKey of 3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is JHXQOPBYBSWCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-21(2)16(23)20-15-12-18(25-13-15)8-10-22(11-9-18)17(24)19-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of 3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoylamino)-N-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 118741165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).