N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide

C18H19N3O5 — CID 89413250

IUPACN-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C18H19N3O5/c1-19-16(23)15(17(24)20-26)21(2)18(25)13-9-8-12(10-14(13)22)11-6-4-3-5-7-11/h3-10,15,22,26H,1-2H3,(H,19,23)(H,20,24)
InChIKeyKHPBPTOJDWUJBH-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.75
Rot. Bonds5

About N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide

N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide (PubChem CID 89413250) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide.

Molecular Properties

Compound NameN-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide
PubChem CID89413250
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C18H19N3O5/c1-19-16(23)15(17(24)20-26)21(2)18(25)13-9-8-12(10-14(13)22)11-6-4-3-5-7-11/h3-10,15,22,26H,1-2H3,(H,19,23)(H,20,24)
InChIKeyKHPBPTOJDWUJBH-UHFFFAOYSA-N
XLogP0.75
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.75
H-Bond Donors ≤ 54
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 N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-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

N-hydroxy-2-[[4-(3-hydroxyphenyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413211
N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide
CID 89413587
2-[[4-(3,4-dimethoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413511
2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413067
N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide
CID 89413611
2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89412940
N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide
CID 89412989
N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide
CID 89413175
2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413676
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propylphenyl)benzoyl]amino]propanediamide
CID 89413598
2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide
CID 89413599
N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
CID 89448015

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide?
The IUPAC name of N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide (CID 89413250) is N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide.
What is the SMILES notation for N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide?
The canonical SMILES for N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)cc1O.
What is the InChIKey of N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide?
The InChIKey is KHPBPTOJDWUJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-19-16(23)15(17(24)20-26)21(2)18(25)13-9-8-12(10-14(13)22)11-6-4-3-5-7-11/h3-10,15,22,26H,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide?
N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide has a molecular weight of 357.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide is sourced from PubChem (CID 89413250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).