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

C20H33N3O4 — CID 20906747

IUPAC8-acetyl-N-[2-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCN(CCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2
InChIInChI=1S/C20H33N3O4/c1-5-10-22(11-6-2)14-9-21-18(25)17-15(3)19(26)27-20(17)7-12-23(13-8-20)16(4)24/h5-14H2,1-4H3,(H,21,25)
InChIKeyWSWLAFRVRPIUMW-UHFFFAOYSA-N
MW379.50 g/mol
LogP1.48
Rot. Bonds8

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

8-acetyl-N-[2-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906747) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is 8-acetyl-N-[2-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-[2-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906747
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name8-acetyl-N-[2-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCN(CCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2
InChIInChI=1S/C20H33N3O4/c1-5-10-22(11-6-2)14-9-21-18(25)17-15(3)19(26)27-20(17)7-12-23(13-8-20)16(4)24/h5-14H2,1-4H3,(H,21,25)
InChIKeyWSWLAFRVRPIUMW-UHFFFAOYSA-N
XLogP1.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 51.48
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-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-acetyl-N-[2-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906747) is 8-acetyl-N-[2-(dipropylamino)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-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-acetyl-N-[2-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCCN(CCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2.
What is the InChIKey of 8-acetyl-N-[2-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is WSWLAFRVRPIUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-5-10-22(11-6-2)14-9-21-18(25)17-15(3)19(26)27-20(17)7-12-23(13-8-20)16(4)24/h5-14H2,1-4H3,(H,21,25).
What are the key properties of 8-acetyl-N-[2-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-acetyl-N-[2-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-[2-(dipropylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).