3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide

C22H23N3O5 — CID 32765766

IUPAC3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide
SMILESCCOc1cc2c(cc1NC(=O)c1cccc(CN3C(=O)CNC3=O)c1)O[C@@H](C)C2
InChIInChI=1S/C22H23N3O5/c1-3-29-19-9-16-7-13(2)30-18(16)10-17(19)24-21(27)15-6-4-5-14(8-15)12-25-20(26)11-23-22(25)28/h4-6,8-10,13H,3,7,11-12H2,1-2H3,(H,23,28)(H,24,27)/t13-/m0/s1
InChIKeyUMMZAZRMUZHXES-ZDUSSCGKSA-N
MW409.44 g/mol
LogP2.71
Rot. Bonds6

About 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide

3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide (PubChem CID 32765766) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide
PubChem CID32765766
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide
SMILESCCOc1cc2c(cc1NC(=O)c1cccc(CN3C(=O)CNC3=O)c1)O[C@@H](C)C2
InChIInChI=1S/C22H23N3O5/c1-3-29-19-9-16-7-13(2)30-18(16)10-17(19)24-21(27)15-6-4-5-14(8-15)12-25-20(26)11-23-22(25)28/h4-6,8-10,13H,3,7,11-12H2,1-2H3,(H,23,28)(H,24,27)/t13-/m0/s1
InChIKeyUMMZAZRMUZHXES-ZDUSSCGKSA-N
XLogP2.71
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride
CID 119697413
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methoxybenzamide
CID 17417438
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27901598
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide
CID 60584787
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-nitrobenzamide
CID 41156153
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-nitrobenzamide
CID 9451778
1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide
CID 24560428
tert-butyl N-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]phenyl]carbamate
CID 55454285
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34167641
4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid
CID 166295819

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide?
The IUPAC name of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide (CID 32765766) is 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide.
What is the SMILES notation for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide?
The canonical SMILES for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide is CCOc1cc2c(cc1NC(=O)c1cccc(CN3C(=O)CNC3=O)c1)O[C@@H](C)C2.
What is the InChIKey of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide?
The InChIKey is UMMZAZRMUZHXES-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-29-19-9-16-7-13(2)30-18(16)10-17(19)24-21(27)15-6-4-5-14(8-15)12-25-20(26)11-23-22(25)28/h4-6,8-10,13H,3,7,11-12H2,1-2H3,(H,23,28)(H,24,27)/t13-/m0/s1.
What are the key properties of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide?
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide has a molecular weight of 409.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide is sourced from PubChem (CID 32765766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).