N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide

C21H22N4O4 — CID 89413175

IUPACN-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3ccn(C)c3c2)cc1
InChIInChI=1S/C21H22N4O4/c1-22-19(26)18(20(27)23-29)25(3)21(28)15-7-4-13(5-8-15)16-9-6-14-10-11-24(2)17(14)12-16/h4-12,18,29H,1-3H3,(H,22,26)(H,23,27)
InChIKeyCAZXOJDTOOFLAZ-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.54
Rot. Bonds5

About N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide

N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide (PubChem CID 89413175) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide
PubChem CID89413175
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3ccn(C)c3c2)cc1
InChIInChI=1S/C21H22N4O4/c1-22-19(26)18(20(27)23-29)25(3)21(28)15-7-4-13(5-8-15)16-9-6-14-10-11-24(2)17(14)12-16/h4-12,18,29H,1-3H3,(H,22,26)(H,23,27)
InChIKeyCAZXOJDTOOFLAZ-UHFFFAOYSA-N
XLogP1.54
TPSA103.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.54
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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Related Compounds

N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methyl-4-(1-methylindol-6-yl)benzamide
CID 158371672
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-2-[[4-[4-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035
2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89412940
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propylphenyl)benzoyl]amino]propanediamide
CID 89413598
2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413676
2-[[4-[4-(ethoxymethyl)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413355
N-hydroxy-2-[[4-(6-methoxy-3-pyridinyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89412972
N-hydroxy-2-[[4-[4-(3-hydroxyprop-1-ynyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413245
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide
CID 89413642
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methyl-4-(3-methylbenzimidazol-5-yl)benzamide
CID 147110302

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide?
The IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide (CID 89413175) is N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide.
What is the SMILES notation for N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide?
The canonical SMILES for N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3ccn(C)c3c2)cc1.
What is the InChIKey of N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide?
The InChIKey is CAZXOJDTOOFLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-22-19(26)18(20(27)23-29)25(3)21(28)15-7-4-13(5-8-15)16-9-6-14-10-11-24(2)17(14)12-16/h4-12,18,29H,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide?
N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide has a molecular weight of 394.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-methyl-2-[methyl-[4-(1-methylindol-6-yl)benzoyl]amino]propanediamide is sourced from PubChem (CID 89413175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).