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

C20H23N3O4 — CID 89413611

IUPACN-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide
SMILESCCCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-13-21-18(24)17(19(25)22-27)23(2)20(26)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17,27H,3,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIHYWWMLKJSHPRF-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.83
Rot. Bonds7

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

N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide (PubChem CID 89413611) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide.

Molecular Properties

Compound NameN-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide
PubChem CID89413611
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide
SMILESCCCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-13-21-18(24)17(19(25)22-27)23(2)20(26)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17,27H,3,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIHYWWMLKJSHPRF-UHFFFAOYSA-N
XLogP1.83
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.83
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-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide
CID 89412989
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-[4-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035
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-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide
CID 89413299
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
2-[[4-(3,4-dimethoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413511
N-hydroxy-2-[[4-[4-(2-hydroxy-2-methylpropoxy)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413373

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide?
The IUPAC name of N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide (CID 89413611) is N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide.
What is the SMILES notation for N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide?
The canonical SMILES for N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide is CCCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide?
The InChIKey is IHYWWMLKJSHPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-13-21-18(24)17(19(25)22-27)23(2)20(26)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17,27H,3,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide?
N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide has a molecular weight of 369.42 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide is sourced from PubChem (CID 89413611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).