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

C21H23N3O4 — CID 89413599

IUPAC2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C(=O)c1ccc(-c2ccccc2)cc1)C1CCC1
InChIInChI=1S/C21H23N3O4/c1-22-19(25)18(20(26)23-28)24(17-8-5-9-17)21(27)16-12-10-15(11-13-16)14-6-3-2-4-7-14/h2-4,6-7,10-13,17-18,28H,5,8-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyGXEADVGIUASCEX-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.97
Rot. Bonds6

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

2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide (PubChem CID 89413599) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide.

Molecular Properties

Compound Name2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide
PubChem CID89413599
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C(=O)c1ccc(-c2ccccc2)cc1)C1CCC1
InChIInChI=1S/C21H23N3O4/c1-22-19(25)18(20(26)23-28)24(17-8-5-9-17)21(27)16-12-10-15(11-13-16)14-6-3-2-4-7-14/h2-4,6-7,10-13,17-18,28H,5,8-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyGXEADVGIUASCEX-UHFFFAOYSA-N
XLogP1.97
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.97
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-[[4-(3-hydroxyphenyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413211
2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413067
N-hydroxy-2-[[4-[4-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035
N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide
CID 89413611
N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide
CID 89413250
N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide
CID 89413587
N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide
CID 89412989
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propylphenyl)benzoyl]amino]propanediamide
CID 89413598
2-[[4-(3,4-dimethoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413511
2-[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413640
2-[[4-[4-(ethoxymethyl)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413355
2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413676

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide?
The IUPAC name of 2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide (CID 89413599) is 2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide.
What is the SMILES notation for 2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide?
The canonical SMILES for 2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide is CNC(=O)C(C(=O)NO)N(C(=O)c1ccc(-c2ccccc2)cc1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide?
The InChIKey is GXEADVGIUASCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-22-19(25)18(20(26)23-28)24(17-8-5-9-17)21(27)16-12-10-15(11-13-16)14-6-3-2-4-7-14/h2-4,6-7,10-13,17-18,28H,5,8-9H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide?
2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide has a molecular weight of 381.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(4-phenylbenzoyl)amino]-N-hydroxy-N'-methylpropanediamide is sourced from PubChem (CID 89413599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).