2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

C27H31N5O4 — CID 89413067

IUPAC2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(NCCCNc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31N5O4/c1-28-25(33)24(26(34)31-36)32(2)27(35)21-11-9-19(10-12-21)20-13-15-23(16-14-20)30-18-6-17-29-22-7-4-3-5-8-22/h3-5,7-16,24,29-30,36H,6,17-18H2,1-2H3,(H,28,33)(H,31,34)
InChIKeyOSQHJXZZVZWCKI-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.96
Rot. Bonds11

About 2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (PubChem CID 89413067) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.

Molecular Properties

Compound Name2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
PubChem CID89413067
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(NCCCNc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31N5O4/c1-28-25(33)24(26(34)31-36)32(2)27(35)21-11-9-19(10-12-21)20-13-15-23(16-14-20)30-18-6-17-29-22-7-4-3-5-8-22/h3-5,7-16,24,29-30,36H,6,17-18H2,1-2H3,(H,28,33)(H,31,34)
InChIKeyOSQHJXZZVZWCKI-UHFFFAOYSA-N
XLogP2.96
TPSA122.80 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide
CID 89413248
N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide
CID 89413303
N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide
CID 89413611
N-hydroxy-2-[[4-[4-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propylphenyl)benzoyl]amino]propanediamide
CID 89413598
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide
CID 147485406
N-hydroxy-2-[[4-(3-hydroxyphenyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413211
N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide
CID 89412989
2-[[4-[4-(ethoxymethyl)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413355
N-hydroxy-2-[[4-[4-(2-hydroxy-2-methylpropoxy)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413373
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The IUPAC name of 2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (CID 89413067) is 2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.
What is the SMILES notation for 2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The canonical SMILES for 2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(NCCCNc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The InChIKey is OSQHJXZZVZWCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-28-25(33)24(26(34)31-36)32(2)27(35)21-11-9-19(10-12-21)20-13-15-23(16-14-20)30-18-6-17-29-22-7-4-3-5-8-22/h3-5,7-16,24,29-30,36H,6,17-18H2,1-2H3,(H,28,33)(H,31,34).
What are the key properties of 2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide has a molecular weight of 489.58 g/mol, XLogP of 2.96, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is sourced from PubChem (CID 89413067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).