3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide

C17H18N2O4 — CID 127048062

IUPAC3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NO)cc1NC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O4/c1-11(2)23-15-9-8-13(17(21)19-22)10-14(15)18-16(20)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H,18,20)(H,19,21)
InChIKeyJDZUEQCULNQRQU-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.85
Rot. Bonds5

About 3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide

3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide (PubChem CID 127048062) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide
PubChem CID127048062
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NO)cc1NC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O4/c1-11(2)23-15-9-8-13(17(21)19-22)10-14(15)18-16(20)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H,18,20)(H,19,21)
InChIKeyJDZUEQCULNQRQU-UHFFFAOYSA-N
XLogP2.85
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.85
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 3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide?
The IUPAC name of 3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide (CID 127048062) is 3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NO)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide?
The InChIKey is JDZUEQCULNQRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(2)23-15-9-8-13(17(21)19-22)10-14(15)18-16(20)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide?
3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide has a molecular weight of 314.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-hydroxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 127048062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).