10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide

C22H25N3O5 — CID 171318572

IUPAC10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(COc1ccccc1)N1CCOC2(C1)CN(C(=O)Nc1ccccc1)CCO2
InChIInChI=1S/C22H25N3O5/c26-20(15-28-19-9-5-2-6-10-19)24-11-13-29-22(16-24)17-25(12-14-30-22)21(27)23-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,23,27)
InChIKeyIMKSZMMDXWRYFH-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.18
Rot. Bonds4

About 10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide

10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 171318572) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID171318572
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(COc1ccccc1)N1CCOC2(C1)CN(C(=O)Nc1ccccc1)CCO2
InChIInChI=1S/C22H25N3O5/c26-20(15-28-19-9-5-2-6-10-19)24-11-13-29-22(16-24)17-25(12-14-30-22)21(27)23-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,23,27)
InChIKeyIMKSZMMDXWRYFH-UHFFFAOYSA-N
XLogP2.18
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318573
2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone
CID 171318576
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770873
1-[10-[(1-methylpyrazol-3-yl)methyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]-2-phenoxyethanone
CID 171318436
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-phenyl-4-[2-(4-propanoylphenoxy)acetyl]piperazine-1-carboxamide
CID 38905055
4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-N-phenylpiperazine-1-carboxamide
CID 38929121
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide
CID 118776743
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446

Frequently Asked Questions

What is the IUPAC name of 10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide (CID 171318572) is 10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide is O=C(COc1ccccc1)N1CCOC2(C1)CN(C(=O)Nc1ccccc1)CCO2.
What is the InChIKey of 10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is IMKSZMMDXWRYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c26-20(15-28-19-9-5-2-6-10-19)24-11-13-29-22(16-24)17-25(12-14-30-22)21(27)23-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,23,27).
What are the key properties of 10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 171318572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).