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

C19H31N3O4 — CID 20906705

IUPAC8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2
InChIInChI=1S/C19H31N3O4/c1-5-21(6-2)11-7-10-20-17(24)16-14(3)18(25)26-19(16)8-12-22(13-9-19)15(4)23/h5-13H2,1-4H3,(H,20,24)
InChIKeyRKFKRWQUZLZOAO-UHFFFAOYSA-N
MW365.47 g/mol
LogP1.09
Rot. Bonds7

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

8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906705) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is 8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906705
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2
InChIInChI=1S/C19H31N3O4/c1-5-21(6-2)11-7-10-20-17(24)16-14(3)18(25)26-19(16)8-12-22(13-9-19)15(4)23/h5-13H2,1-4H3,(H,20,24)
InChIKeyRKFKRWQUZLZOAO-UHFFFAOYSA-N
XLogP1.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906705) is 8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCN(CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2.
What is the InChIKey of 8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is RKFKRWQUZLZOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-5-21(6-2)11-7-10-20-17(24)16-14(3)18(25)26-19(16)8-12-22(13-9-19)15(4)23/h5-13H2,1-4H3,(H,20,24).
What are the key properties of 8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-[3-(diethylamino)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).