(5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C19H20N2O4 — CID 41410569

IUPAC(5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cc3ccccc3o1)C2=O
InChIInChI=1S/C19H20N2O4/c1-12-6-4-5-9-19(12)17(23)21(18(24)20-19)11-14(22)16-10-13-7-2-3-8-15(13)25-16/h2-3,7-8,10,12H,4-6,9,11H2,1H3,(H,20,24)/t12-,19+/m0/s1
InChIKeyXZNXBIVULFNLAE-HXPMCKFVSA-N
MW340.38 g/mol
LogP3.12
Rot. Bonds3

About (5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 41410569) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID41410569
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cc3ccccc3o1)C2=O
InChIInChI=1S/C19H20N2O4/c1-12-6-4-5-9-19(12)17(23)21(18(24)20-19)11-14(22)16-10-13-7-2-3-8-15(13)25-16/h2-3,7-8,10,12H,4-6,9,11H2,1H3,(H,20,24)/t12-,19+/m0/s1
InChIKeyXZNXBIVULFNLAE-HXPMCKFVSA-N
XLogP3.12
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione 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

N-(1-benzofuran-2-ylmethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 86994486
1,3-benzoxazol-2-ylmethyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9457179
(5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181755
(5S,6R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680984
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
phenacyl 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480580
(5R,6S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680971
(5S,6R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680977
(5S,6R)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40791004
N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371
(5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2703375
(3-methylphenyl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480653

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 41410569) is (5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cc3ccccc3o1)C2=O.
What is the InChIKey of (5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is XZNXBIVULFNLAE-HXPMCKFVSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-6-4-5-9-19(12)17(23)21(18(24)20-19)11-14(22)16-10-13-7-2-3-8-15(13)25-16/h2-3,7-8,10,12H,4-6,9,11H2,1H3,(H,20,24)/t12-,19+/m0/s1.
What are the key properties of (5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 41410569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).