3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide

C22H21N3O4 — CID 87454003

IUPAC3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide
SMILESCC(=O)NC(Cc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)NO)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)23-20(12-15-9-10-16-5-2-3-6-17(16)11-15)22(28)24-19-8-4-7-18(13-19)21(27)25-29/h2-11,13,20,29H,12H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyIJPGVTDLFCZVMY-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.64
Rot. Bonds6

About 3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide

3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide (PubChem CID 87454003) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide
PubChem CID87454003
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide
SMILESCC(=O)NC(Cc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)NO)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)23-20(12-15-9-10-16-5-2-3-6-17(16)11-15)22(28)24-19-8-4-7-18(13-19)21(27)25-29/h2-11,13,20,29H,12H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyIJPGVTDLFCZVMY-UHFFFAOYSA-N
XLogP2.64
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.64
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide?
The IUPAC name of 3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide (CID 87454003) is 3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide.
What is the SMILES notation for 3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide?
The canonical SMILES for 3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide is CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)NO)c1.
What is the InChIKey of 3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide?
The InChIKey is IJPGVTDLFCZVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(26)23-20(12-15-9-10-16-5-2-3-6-17(16)11-15)22(28)24-19-8-4-7-18(13-19)21(27)25-29/h2-11,13,20,29H,12H2,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide?
3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide has a molecular weight of 391.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide is sourced from PubChem (CID 87454003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).