N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide

C21H25N3O5 — CID 89413642

IUPACN-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide
SMILESCCCOc1ccc(-c2ccc(C(=O)N(C)C(C(=O)NC)C(=O)NO)cc2)cc1
InChIInChI=1S/C21H25N3O5/c1-4-13-29-17-11-9-15(10-12-17)14-5-7-16(8-6-14)21(27)24(3)18(19(25)22-2)20(26)23-28/h5-12,18,28H,4,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyDEBCBVUKYGLIPR-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.83
Rot. Bonds8

About N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide

N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide (PubChem CID 89413642) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide
PubChem CID89413642
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide
SMILESCCCOc1ccc(-c2ccc(C(=O)N(C)C(C(=O)NC)C(=O)NO)cc2)cc1
InChIInChI=1S/C21H25N3O5/c1-4-13-29-17-11-9-15(10-12-17)14-5-7-16(8-6-14)21(27)24(3)18(19(25)22-2)20(26)23-28/h5-12,18,28H,4,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyDEBCBVUKYGLIPR-UHFFFAOYSA-N
XLogP1.83
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide 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

N-hydroxy-2-[[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89447883
N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide
CID 89413299
N-hydroxy-2-[[4-[4-(2-hydroxy-2-methylpropoxy)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413373
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propylphenyl)benzoyl]amino]propanediamide
CID 89413598
2-[[4-[4-(ethoxymethyl)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413355
N-hydroxy-2-[[4-[4-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035
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-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide
CID 89413248
2-[[4-(3,4-dimethoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413511
N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide
CID 89413412
N-hydroxy-N'-methyl-2-[methyl-[4-(3-phenylprop-2-ynoxy)benzoyl]amino]propanediamide
CID 89413379

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide?
The IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide (CID 89413642) is N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide.
What is the SMILES notation for N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide?
The canonical SMILES for N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide is CCCOc1ccc(-c2ccc(C(=O)N(C)C(C(=O)NC)C(=O)NO)cc2)cc1.
What is the InChIKey of N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide?
The InChIKey is DEBCBVUKYGLIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-4-13-29-17-11-9-15(10-12-17)14-5-7-16(8-6-14)21(27)24(3)18(19(25)22-2)20(26)23-28/h5-12,18,28H,4,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide?
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide has a molecular weight of 399.45 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide is sourced from PubChem (CID 89413642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).