N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide

C23H29N3O5 — CID 147485406

IUPACN-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide
SMILESCNC(=O)C(C(=O)CO)N(C)C(=O)c1ccc(-c2ccc(NCCCOC)cc2)cc1
InChIInChI=1S/C23H29N3O5/c1-24-22(29)21(20(28)15-27)26(2)23(30)18-7-5-16(6-8-18)17-9-11-19(12-10-17)25-13-4-14-31-3/h5-12,21,25,27H,4,13-15H2,1-3H3,(H,24,29)
InChIKeyFELZBDNXMZVYSD-UHFFFAOYSA-N
MW427.50 g/mol
LogP1.55
Rot. Bonds11

About N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide

N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide (PubChem CID 147485406) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide
PubChem CID147485406
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide
SMILESCNC(=O)C(C(=O)CO)N(C)C(=O)c1ccc(-c2ccc(NCCCOC)cc2)cc1
InChIInChI=1S/C23H29N3O5/c1-24-22(29)21(20(28)15-27)26(2)23(30)18-7-5-16(6-8-18)17-9-11-19(12-10-17)25-13-4-14-31-3/h5-12,21,25,27H,4,13-15H2,1-3H3,(H,24,29)
InChIKeyFELZBDNXMZVYSD-UHFFFAOYSA-N
XLogP1.55
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 51.55
H-Bond Donors ≤ 53
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'}

Analyze N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-(2-hydroxyethylamino)phenyl]ethynyl]-N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methylbenzamide
CID 157314572
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxyprop-1-ynyl)phenyl]-N-methylbenzamide
CID 153036090
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-hydroxypropyl)phenyl]-N-methylbenzamide
CID 157373344
2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413067
N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide
CID 89413248
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylbenzamide
CID 147307399
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methyl-4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 157497346
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-(1H-indol-5-yl)-N-methylbenzamide
CID 147186852
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methyl-4-(3-methylbenzimidazol-5-yl)benzamide
CID 147110302
N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide
CID 89413303
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)benzamide
CID 149361277
N-hydroxy-2-[[4-[4-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide?
The IUPAC name of N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide (CID 147485406) is N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide.
What is the SMILES notation for N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide?
The canonical SMILES for N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide is CNC(=O)C(C(=O)CO)N(C)C(=O)c1ccc(-c2ccc(NCCCOC)cc2)cc1.
What is the InChIKey of N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide?
The InChIKey is FELZBDNXMZVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-24-22(29)21(20(28)15-27)26(2)23(30)18-7-5-16(6-8-18)17-9-11-19(12-10-17)25-13-4-14-31-3/h5-12,21,25,27H,4,13-15H2,1-3H3,(H,24,29).
What are the key properties of N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide?
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide has a molecular weight of 427.50 g/mol, XLogP of 1.55, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide is sourced from PubChem (CID 147485406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).