(5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C20H24N2O4 — CID 95727090

IUPAC(5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)c2c(CC(=O)N3CCC[C@]4(CNC(=O)O4)C3)coc2c1C
InChIInChI=1S/C20H24N2O4/c1-12-7-13(2)17-15(9-25-18(17)14(12)3)8-16(23)22-6-4-5-20(11-22)10-21-19(24)26-20/h7,9H,4-6,8,10-11H2,1-3H3,(H,21,24)/t20-/m0/s1
InChIKeyAAOYDZHJMKIKAH-FQEVSTJZSA-N
MW356.42 g/mol
LogP3.00
Rot. Bonds2

About (5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95727090) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95727090
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)c2c(CC(=O)N3CCC[C@]4(CNC(=O)O4)C3)coc2c1C
InChIInChI=1S/C20H24N2O4/c1-12-7-13(2)17-15(9-25-18(17)14(12)3)8-16(23)22-6-4-5-20(11-22)10-21-19(24)26-20/h7,9H,4-6,8,10-11H2,1-3H3,(H,21,24)/t20-/m0/s1
InChIKeyAAOYDZHJMKIKAH-FQEVSTJZSA-N
XLogP3.00
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95727090) is (5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1cc(C)c2c(CC(=O)N3CCC[C@]4(CNC(=O)O4)C3)coc2c1C.
What is the InChIKey of (5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is AAOYDZHJMKIKAH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-7-13(2)17-15(9-25-18(17)14(12)3)8-16(23)22-6-4-5-20(11-22)10-21-19(24)26-20/h7,9H,4-6,8,10-11H2,1-3H3,(H,21,24)/t20-/m0/s1.
What are the key properties of (5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 356.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95727090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).