8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H25N3O4 — CID 70707335

IUPAC8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCNCC(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2
InChIInChI=1S/C18H25N3O4/c1-19-13-16(22)20-9-7-18(8-10-20)14-21(17(23)25-18)11-12-24-15-5-3-2-4-6-15/h2-6,19H,7-14H2,1H3
InChIKeyWFACFFBCRIAQIK-UHFFFAOYSA-N
MW347.41 g/mol
LogP1.10
Rot. Bonds6

About 8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70707335) has the molecular formula C18H25N3O4 and a molecular weight of 347.41 g/mol. Its IUPAC name is 8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70707335
Molecular FormulaC18H25N3O4
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCNCC(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2
InChIInChI=1S/C18H25N3O4/c1-19-13-16(22)20-9-7-18(8-10-20)14-21(17(23)25-18)11-12-24-15-5-3-2-4-6-15/h2-6,19H,7-14H2,1H3
InChIKeyWFACFFBCRIAQIK-UHFFFAOYSA-N
XLogP1.10
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70707335) is 8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CNCC(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2.
What is the InChIKey of 8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WFACFFBCRIAQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-19-13-16(22)20-9-7-18(8-10-20)14-21(17(23)25-18)11-12-24-15-5-3-2-4-6-15/h2-6,19H,7-14H2,1H3.
What are the key properties of 8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 347.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(methylamino)acetyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70707335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).