N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide

C24H23N3O4 — CID 89412989

IUPACN-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1)C(C(=O)NO)C(=O)NCc1ccccc1
InChIInChI=1S/C24H23N3O4/c1-27(21(23(29)26-31)22(28)25-16-17-8-4-2-5-9-17)24(30)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-15,21,31H,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyBEPXKHXLSWVZNR-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.62
Rot. Bonds7

About N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide

N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide (PubChem CID 89412989) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide.

Molecular Properties

Compound NameN-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide
PubChem CID89412989
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1)C(C(=O)NO)C(=O)NCc1ccccc1
InChIInChI=1S/C24H23N3O4/c1-27(21(23(29)26-31)22(28)25-16-17-8-4-2-5-9-17)24(30)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-15,21,31H,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyBEPXKHXLSWVZNR-UHFFFAOYSA-N
XLogP2.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide
CID 89413611
N-hydroxy-2-[[4-[4-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035
2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413067
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propylphenyl)benzoyl]amino]propanediamide
CID 89413598
N-hydroxy-2-[[4-(3-hydroxyphenyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413211
2-[[4-[4-(ethoxymethyl)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413355
N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide
CID 89413587
N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
CID 89448015
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 119277683
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-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide
CID 89413250

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide?
The IUPAC name of N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide (CID 89412989) is N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide.
What is the SMILES notation for N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide?
The canonical SMILES for N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide is CN(C(=O)c1ccc(-c2ccccc2)cc1)C(C(=O)NO)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide?
The InChIKey is BEPXKHXLSWVZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-27(21(23(29)26-31)22(28)25-16-17-8-4-2-5-9-17)24(30)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-15,21,31H,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide?
N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide has a molecular weight of 417.47 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide is sourced from PubChem (CID 89412989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).