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

C18H29N3O4 — CID 20906701

IUPAC8-acetyl-N-[2-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2
InChIInChI=1S/C18H29N3O4/c1-5-20(6-2)12-9-19-16(23)15-13(3)17(24)25-18(15)7-10-21(11-8-18)14(4)22/h5-12H2,1-4H3,(H,19,23)
InChIKeyINBBKPMTKNRTPT-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.70
Rot. Bonds6

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

8-acetyl-N-[2-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906701) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 8-acetyl-N-[2-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-[2-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906701
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name8-acetyl-N-[2-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2
InChIInChI=1S/C18H29N3O4/c1-5-20(6-2)12-9-19-16(23)15-13(3)17(24)25-18(15)7-10-21(11-8-18)14(4)22/h5-12H2,1-4H3,(H,19,23)
InChIKeyINBBKPMTKNRTPT-UHFFFAOYSA-N
XLogP0.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.70
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-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-acetyl-N-[2-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906701) is 8-acetyl-N-[2-(diethylamino)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-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-acetyl-N-[2-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCN(CC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2.
What is the InChIKey of 8-acetyl-N-[2-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is INBBKPMTKNRTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-5-20(6-2)12-9-19-16(23)15-13(3)17(24)25-18(15)7-10-21(11-8-18)14(4)22/h5-12H2,1-4H3,(H,19,23).
What are the key properties of 8-acetyl-N-[2-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-acetyl-N-[2-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-[2-(diethylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).