3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide

C16H16N2O3 — CID 71680913

IUPAC3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C16H16N2O3/c19-15(17-10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(20)18-21/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)
InChIKeyFIHKWEQJEDRIFS-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.78
Rot. Bonds5

About 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide

3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 71680913) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID71680913
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C16H16N2O3/c19-15(17-10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(20)18-21/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)
InChIKeyFIHKWEQJEDRIFS-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

Scriptaid
CID 5186
AR-M1000390
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CID 73878
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
N-Phenacylbenzamide
CID 259631
N-Ethyl-3-toluamide
CID 93103
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
N-(3,3-diphenylpropyl)benzamide
CID 1220236
N-[3-(benzoylamino)propyl]benzamide
CID 255782
N-benzyl-4-oxo-4-phenylbutanamide
CID 347385

Frequently Asked Questions

What is the IUPAC name of 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide (CID 71680913) is 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide is O=C(NO)c1cccc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is FIHKWEQJEDRIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(17-10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(20)18-21/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20).
What are the key properties of 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 71680913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).