8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C16H25N3O4 — CID 20906708

IUPAC8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCN(C)C
InChIInChI=1S/C16H25N3O4/c1-11-13(14(21)17-7-10-18(3)4)16(23-15(11)22)5-8-19(9-6-16)12(2)20/h5-10H2,1-4H3,(H,17,21)
InChIKeyFTTAFUQPVJLKCJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP-0.08
Rot. Bonds4

About 8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906708) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906708
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCN(C)C
InChIInChI=1S/C16H25N3O4/c1-11-13(14(21)17-7-10-18(3)4)16(23-15(11)22)5-8-19(9-6-16)12(2)20/h5-10H2,1-4H3,(H,17,21)
InChIKeyFTTAFUQPVJLKCJ-UHFFFAOYSA-N
XLogP-0.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906708) is 8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCN(C)C.
What is the InChIKey of 8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is FTTAFUQPVJLKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11-13(14(21)17-7-10-18(3)4)16(23-15(11)22)5-8-19(9-6-16)12(2)20/h5-10H2,1-4H3,(H,17,21).
What are the key properties of 8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 323.39 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).