4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide

C19H30N4O3 — CID 71732120

IUPAC4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide
SMILESCCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)NCCN1CCCC1
InChIInChI=1S/C19H30N4O3/c1-2-3-13-23(19(25)20-10-14-22-11-4-5-12-22)15-16-6-8-17(9-7-16)18(24)21-26/h6-9,26H,2-5,10-15H2,1H3,(H,20,25)(H,21,24)
InChIKeyCXJRCCTWFSBLFQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.21
Rot. Bonds9

About 4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide

4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide (PubChem CID 71732120) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide
PubChem CID71732120
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide
SMILESCCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)NCCN1CCCC1
InChIInChI=1S/C19H30N4O3/c1-2-3-13-23(19(25)20-10-14-22-11-4-5-12-22)15-16-6-8-17(9-7-16)18(24)21-26/h6-9,26H,2-5,10-15H2,1H3,(H,20,25)(H,21,24)
InChIKeyCXJRCCTWFSBLFQ-UHFFFAOYSA-N
XLogP2.21
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.21
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide (CID 71732120) is 4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide is CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)NCCN1CCCC1.
What is the InChIKey of 4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide?
The InChIKey is CXJRCCTWFSBLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-2-3-13-23(19(25)20-10-14-22-11-4-5-12-22)15-16-6-8-17(9-7-16)18(24)21-26/h6-9,26H,2-5,10-15H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide?
4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide has a molecular weight of 362.47 g/mol, XLogP of 2.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(2-pyrrolidin-1-ylethylcarbamoyl)amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 71732120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).