3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one

C27H30N2O5 — CID 3504433

IUPAC3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
SMILESCCOc1ccc(C(=O)N2CCC3(CCN(C(=O)CC4OC(=O)c5ccccc54)C3)CC2)cc1
InChIInChI=1S/C27H30N2O5/c1-2-33-20-9-7-19(8-10-20)25(31)28-14-11-27(12-15-28)13-16-29(18-27)24(30)17-23-21-5-3-4-6-22(21)26(32)34-23/h3-10,23H,2,11-18H2,1H3
InChIKeyMYEWTFXJEJOADG-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.84
Rot. Bonds5

About 3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one

3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one (PubChem CID 3504433) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
PubChem CID3504433
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Name3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
SMILESCCOc1ccc(C(=O)N2CCC3(CCN(C(=O)CC4OC(=O)c5ccccc54)C3)CC2)cc1
InChIInChI=1S/C27H30N2O5/c1-2-33-20-9-7-19(8-10-20)25(31)28-14-11-27(12-15-28)13-16-29(18-27)24(30)17-23-21-5-3-4-6-22(21)26(32)34-23/h3-10,23H,2,11-18H2,1H3
InChIKeyMYEWTFXJEJOADG-UHFFFAOYSA-N
XLogP3.84
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[8-(5-acetylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
CID 3817060
3-[2-[8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
CID 3782615
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone
CID 3262527
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one
CID 3808183
N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide
CID 3366695
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 5174173
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
CID 4296379
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 3824111
8-(4-ethoxybenzoyl)-N-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3672245
8-(4-ethoxybenzoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91923759
N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide
CID 3867468

Frequently Asked Questions

What is the IUPAC name of 3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one (CID 3504433) is 3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one is CCOc1ccc(C(=O)N2CCC3(CCN(C(=O)CC4OC(=O)c5ccccc54)C3)CC2)cc1.
What is the InChIKey of 3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one?
The InChIKey is MYEWTFXJEJOADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-2-33-20-9-7-19(8-10-20)25(31)28-14-11-27(12-15-28)13-16-29(18-27)24(30)17-23-21-5-3-4-6-22(21)26(32)34-23/h3-10,23H,2,11-18H2,1H3.
What are the key properties of 3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one?
3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one has a molecular weight of 462.55 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 3504433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).