3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H26FN3O3 — CID 70706870

IUPAC3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C(=O)O3)c(F)c1
InChIInChI=1S/C19H26FN3O3/c1-14-4-5-15(16(20)12-14)17(24)22-8-6-19(7-9-22)13-23(18(25)26-19)11-10-21(2)3/h4-5,12H,6-11,13H2,1-3H3
InChIKeyZIVBKLQRQUZWED-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.12
Rot. Bonds4

About 3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70706870) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70706870
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C(=O)O3)c(F)c1
InChIInChI=1S/C19H26FN3O3/c1-14-4-5-15(16(20)12-14)17(24)22-8-6-19(7-9-22)13-23(18(25)26-19)11-10-21(2)3/h4-5,12H,6-11,13H2,1-3H3
InChIKeyZIVBKLQRQUZWED-UHFFFAOYSA-N
XLogP2.12
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70706870) is 3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1ccc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C(=O)O3)c(F)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZIVBKLQRQUZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-14-4-5-15(16(20)12-14)17(24)22-8-6-19(7-9-22)13-23(18(25)26-19)11-10-21(2)3/h4-5,12H,6-11,13H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 363.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70706870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).