4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide

C26H28N4O4 — CID 132515051

IUPAC4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide
SMILESCc1ccc(NC(=O)CN(Cc2ccc(C(=O)NO)cc2)C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyUEKPDDMOEDHDCS-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.46
Rot. Bonds8

About 4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide

4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide (PubChem CID 132515051) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide
PubChem CID132515051
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide
SMILESCc1ccc(NC(=O)CN(Cc2ccc(C(=O)NO)cc2)C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyUEKPDDMOEDHDCS-UHFFFAOYSA-N
XLogP3.46
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide (CID 132515051) is 4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide is Cc1ccc(NC(=O)CN(Cc2ccc(C(=O)NO)cc2)C(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is UEKPDDMOEDHDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide?
4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 460.53 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(dimethylamino)benzoyl]-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 132515051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).