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

C22H37N3O4 — CID 20906742

IUPAC8-acetyl-N-[2-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCCN(CCCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2
InChIInChI=1S/C22H37N3O4/c1-5-7-12-24(13-8-6-2)16-11-23-20(27)19-17(3)21(28)29-22(19)9-14-25(15-10-22)18(4)26/h5-16H2,1-4H3,(H,23,27)
InChIKeyZOHZMYMRQDUHFB-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.26
Rot. Bonds10

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

8-acetyl-N-[2-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906742) has the molecular formula C22H37N3O4 and a molecular weight of 407.56 g/mol. Its IUPAC name is 8-acetyl-N-[2-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-[2-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906742
Molecular FormulaC22H37N3O4
Molecular Weight407.56 g/mol
Exact Mass407.28
IUPAC Name8-acetyl-N-[2-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCCN(CCCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2
InChIInChI=1S/C22H37N3O4/c1-5-7-12-24(13-8-6-2)16-11-23-20(27)19-17(3)21(28)29-22(19)9-14-25(15-10-22)18(4)26/h5-16H2,1-4H3,(H,23,27)
InChIKeyZOHZMYMRQDUHFB-UHFFFAOYSA-N
XLogP2.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.26
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-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-acetyl-N-[2-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906742) is 8-acetyl-N-[2-(dibutylamino)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-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-acetyl-N-[2-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCCCN(CCCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2.
What is the InChIKey of 8-acetyl-N-[2-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is ZOHZMYMRQDUHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O4/c1-5-7-12-24(13-8-6-2)16-11-23-20(27)19-17(3)21(28)29-22(19)9-14-25(15-10-22)18(4)26/h5-16H2,1-4H3,(H,23,27).
What are the key properties of 8-acetyl-N-[2-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-acetyl-N-[2-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 2.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-[2-(dibutylamino)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).