2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

C20H21N3O5 — CID 54588361

IUPAC2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C20H21N3O5/c1-21-18(24)17(19(25)22-27)23(2)20(26)13-5-3-12(4-6-13)14-7-8-16-15(11-14)9-10-28-16/h3-8,11,17,27H,9-10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMWZGLNITCSVDNA-UHFFFAOYSA-N
MW383.40 g/mol
LogP0.98
Rot. Bonds5

About 2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (PubChem CID 54588361) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.

Molecular Properties

Compound Name2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
PubChem CID54588361
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C20H21N3O5/c1-21-18(24)17(19(25)22-27)23(2)20(26)13-5-3-12(4-6-13)14-7-8-16-15(11-14)9-10-28-16/h3-8,11,17,27H,9-10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMWZGLNITCSVDNA-UHFFFAOYSA-N
XLogP0.98
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The IUPAC name of 2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (CID 54588361) is 2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.
What is the SMILES notation for 2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The canonical SMILES for 2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The InChIKey is MWZGLNITCSVDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-21-18(24)17(19(25)22-27)23(2)20(26)13-5-3-12(4-6-13)14-7-8-16-15(11-14)9-10-28-16/h3-8,11,17,27H,9-10H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide has a molecular weight of 383.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is sourced from PubChem (CID 54588361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).