2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C19H29N3O2 — CID 110131158

IUPAC2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCN(C)CC(=O)N1CCC2(CC1)CC(N(C)c1ccccc1)CO2
InChIInChI=1S/C19H29N3O2/c1-20(2)14-18(23)22-11-9-19(10-12-22)13-17(15-24-19)21(3)16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3
InChIKeyNOBODCFULZOVJE-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.83
Rot. Bonds4

About 2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 110131158) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
PubChem CID110131158
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCN(C)CC(=O)N1CCC2(CC1)CC(N(C)c1ccccc1)CO2
InChIInChI=1S/C19H29N3O2/c1-20(2)14-18(23)22-11-9-19(10-12-22)13-17(15-24-19)21(3)16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3
InChIKeyNOBODCFULZOVJE-UHFFFAOYSA-N
XLogP1.83
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 110131158) is 2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is CN(C)CC(=O)N1CCC2(CC1)CC(N(C)c1ccccc1)CO2.
What is the InChIKey of 2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is NOBODCFULZOVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-20(2)14-18(23)22-11-9-19(10-12-22)13-17(15-24-19)21(3)16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 110131158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).