ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate

C17H19N3O6 — CID 91043741

IUPACethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate
SMILESCCOC(=O)CC1(Cn2cc3ccc(OC)cc3c2O)NC(=O)NC1=O
InChIInChI=1S/C17H19N3O6/c1-3-26-13(21)7-17(15(23)18-16(24)19-17)9-20-8-10-4-5-11(25-2)6-12(10)14(20)22/h4-6,8,22H,3,7,9H2,1-2H3,(H2,18,19,23,24)
InChIKeyYSOWSPIDDRCITM-UHFFFAOYSA-N
MW361.35 g/mol
LogP0.89
Rot. Bonds6

About ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate

ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate (PubChem CID 91043741) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate
PubChem CID91043741
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Nameethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate
SMILESCCOC(=O)CC1(Cn2cc3ccc(OC)cc3c2O)NC(=O)NC1=O
InChIInChI=1S/C17H19N3O6/c1-3-26-13(21)7-17(15(23)18-16(24)19-17)9-20-8-10-4-5-11(25-2)6-12(10)14(20)22/h4-6,8,22H,3,7,9H2,1-2H3,(H2,18,19,23,24)
InChIKeyYSOWSPIDDRCITM-UHFFFAOYSA-N
XLogP0.89
TPSA118.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]pyridine-2-carboxylate
CID 91212167
5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 91258994
(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
CID 90884281
(5R)-5-[2-[4-[(1S)-1-aminoethyl]phenyl]ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91432973
(5R)-5-[2-(3,5-dichlorophenyl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91520006
5-[2-(4-fluorophenyl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90733972
4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
CID 91410877
4-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzoic acid
CID 90980933
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(2-methyl-1-benzofuran-5-yl)ethynyl]imidazolidine-2,4-dione
CID 91480768
5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90972982
5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide
CID 91035515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate?
The IUPAC name of ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate (CID 91043741) is ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate is CCOC(=O)CC1(Cn2cc3ccc(OC)cc3c2O)NC(=O)NC1=O.
What is the InChIKey of ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate?
The InChIKey is YSOWSPIDDRCITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-3-26-13(21)7-17(15(23)18-16(24)19-17)9-20-8-10-4-5-11(25-2)6-12(10)14(20)22/h4-6,8,22H,3,7,9H2,1-2H3,(H2,18,19,23,24).
What are the key properties of ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate?
ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate has a molecular weight of 361.35 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate is sourced from PubChem (CID 91043741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).