4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C22H25N3O4 — CID 138381896

IUPAC4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CC2(CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)OCC1=O
InChIInChI=1S/C22H25N3O4/c1-24-16-22(28-15-20(24)26)11-13-25(14-12-22)21(27)23-18-9-5-6-10-19(18)29-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,27)
InChIKeyDICAYOYKKUWEHA-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.33
Rot. Bonds3

About 4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 138381896) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID138381896
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CC2(CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)OCC1=O
InChIInChI=1S/C22H25N3O4/c1-24-16-22(28-15-20(24)26)11-13-25(14-12-22)21(27)23-18-9-5-6-10-19(18)29-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,27)
InChIKeyDICAYOYKKUWEHA-UHFFFAOYSA-N
XLogP3.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3268615
4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24735797
4-methyl-9-[2-(2-phenylmethoxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138381768
N-(2-ethoxyphenyl)-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 138387517
3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886874
N-[2-(3,4-dimethylphenoxy)ethyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 122571263
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyphenyl)acetamide
CID 8014768
2-oxo-N-(2-phenylmethoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 118778157
N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide
CID 162623805

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 138381896) is 4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is CN1CC2(CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)OCC1=O.
What is the InChIKey of 4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is DICAYOYKKUWEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-24-16-22(28-15-20(24)26)11-13-25(14-12-22)21(27)23-18-9-5-6-10-19(18)29-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,27).
What are the key properties of 4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 138381896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).