4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide

C20H26N4O3 — CID 162657468

IUPAC4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide
SMILESCCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C20H26N4O3/c1-2-3-12-24(14-16-4-8-17(9-5-16)19(25)23-27)20(26)22-18-10-6-15(13-21)7-11-18/h4-11,27H,2-3,12-14,21H2,1H3,(H,22,26)(H,23,25)
InChIKeyGESBEDAZDXKNGG-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.10
Rot. Bonds8

About 4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide

4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide (PubChem CID 162657468) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide
PubChem CID162657468
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide
SMILESCCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C20H26N4O3/c1-2-3-12-24(14-16-4-8-17(9-5-16)19(25)23-27)20(26)22-18-10-6-15(13-21)7-11-18/h4-11,27H,2-3,12-14,21H2,1H3,(H,22,26)(H,23,25)
InChIKeyGESBEDAZDXKNGG-UHFFFAOYSA-N
XLogP3.10
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]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-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide (CID 162657468) is 4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide is CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of 4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide?
The InChIKey is GESBEDAZDXKNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-3-12-24(14-16-4-8-17(9-5-16)19(25)23-27)20(26)22-18-10-6-15(13-21)7-11-18/h4-11,27H,2-3,12-14,21H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide?
4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.10, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(aminomethyl)phenyl]carbamoyl-butylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162657468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).