2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

C20H21N3O5 — CID 89413676

IUPAC2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)OCC3)cc1
InChIInChI=1S/C20H21N3O5/c1-21-18(24)17(19(25)22-27)23(2)20(26)14-6-3-12(4-7-14)15-8-5-13-9-10-28-16(13)11-15/h3-8,11,17,27H,9-10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPLYKINYNVPDMBD-UHFFFAOYSA-N
MW383.40 g/mol
LogP0.98
Rot. Bonds5

About 2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (PubChem CID 89413676) 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-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.

Molecular Properties

Compound Name2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
PubChem CID89413676
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)OCC3)cc1
InChIInChI=1S/C20H21N3O5/c1-21-18(24)17(19(25)22-27)23(2)20(26)14-6-3-12(4-7-14)15-8-5-13-9-10-28-16(13)11-15/h3-8,11,17,27H,9-10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPLYKINYNVPDMBD-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'}

Analyze 2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide 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

2-[[4-(3,4-dimethoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413511
N-hydroxy-2-[[4-(3-hydroxyphenyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413211
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propylphenyl)benzoyl]amino]propanediamide
CID 89413598
2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89412940
N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
CID 89448015
2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413067
N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide
CID 89413303
tert-butyl-[[4-[4-[[1-(hydroxyamino)-3-(methylamino)-1,3-dioxopropan-2-yl]-methylcarbamoyl]phenyl]-2-methylphenyl]methyl]carbamic acid
CID 89412968
2-[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413640
N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide
CID 89413299
N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide
CID 89413350
N-hydroxy-2-[[4-(3-hydroxyprop-1-ynyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 130207847

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The IUPAC name of 2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (CID 89413676) is 2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.
What is the SMILES notation for 2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The canonical SMILES for 2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)OCC3)cc1.
What is the InChIKey of 2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The InChIKey is PLYKINYNVPDMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-21-18(24)17(19(25)22-27)23(2)20(26)14-6-3-12(4-7-14)15-8-5-13-9-10-28-16(13)11-15/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-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
2-[[4-(2,3-dihydro-1-benzofuran-6-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-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is sourced from PubChem (CID 89413676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).