(7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C23H26N2O6 — CID 47093946

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)OCc1cc(=O)oc3cc(C)ccc13)C2=O
InChIInChI=1S/C23H26N2O6/c1-3-15-6-8-23(9-7-15)21(28)25(22(29)24-23)12-20(27)30-13-16-11-19(26)31-18-10-14(2)4-5-17(16)18/h4-5,10-11,15H,3,6-9,12-13H2,1-2H3,(H,24,29)
InChIKeyVAVZHSWLECAIHU-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.04
Rot. Bonds5

About (7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

(7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 47093946) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID47093946
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)OCc1cc(=O)oc3cc(C)ccc13)C2=O
InChIInChI=1S/C23H26N2O6/c1-3-15-6-8-23(9-7-15)21(28)25(22(29)24-23)12-20(27)30-13-16-11-19(26)31-18-10-14(2)4-5-17(16)18/h4-5,10-11,15H,3,6-9,12-13H2,1-2H3,(H,24,29)
InChIKeyVAVZHSWLECAIHU-UHFFFAOYSA-N
XLogP3.04
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(7-methyl-2-oxochromen-4-yl)methyl 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 2534701
(7-methyl-2-oxochromen-4-yl)methyl 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 2534700
(7-hydroxy-2-oxochromen-4-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955605
(7-bromo-2-oxochromen-4-yl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 47093843
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691277
(7-methyl-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9320557
(7-methyl-2-oxochromen-4-yl)methyl 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7350847
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7940007
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793556
ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 55478911
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309926
(7-methyl-2-oxochromen-4-yl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235435

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 47093946) is (7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CCC1CCC2(CC1)NC(=O)N(CC(=O)OCc1cc(=O)oc3cc(C)ccc13)C2=O.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is VAVZHSWLECAIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-3-15-6-8-23(9-7-15)21(28)25(22(29)24-23)12-20(27)30-13-16-11-19(26)31-18-10-14(2)4-5-17(16)18/h4-5,10-11,15H,3,6-9,12-13H2,1-2H3,(H,24,29).
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
(7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 426.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 47093946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).