2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide

C21H24N2O3 — CID 135320380

IUPAC2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide
SMILESO=CNC1(c2cccc(C(C(=O)NO)c3ccccc3)c2)CCCCC1
InChIInChI=1S/C21H24N2O3/c24-15-22-21(12-5-2-6-13-21)18-11-7-10-17(14-18)19(20(25)23-26)16-8-3-1-4-9-16/h1,3-4,7-11,14-15,19,26H,2,5-6,12-13H2,(H,22,24)(H,23,25)
InChIKeyNOTIRWXOZGDJGM-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.23
Rot. Bonds6

About 2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide

2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide (PubChem CID 135320380) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide
PubChem CID135320380
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide
SMILESO=CNC1(c2cccc(C(C(=O)NO)c3ccccc3)c2)CCCCC1
InChIInChI=1S/C21H24N2O3/c24-15-22-21(12-5-2-6-13-21)18-11-7-10-17(14-18)19(20(25)23-26)16-8-3-1-4-9-16/h1,3-4,7-11,14-15,19,26H,2,5-6,12-13H2,(H,22,24)(H,23,25)
InChIKeyNOTIRWXOZGDJGM-UHFFFAOYSA-N
XLogP3.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide?
The IUPAC name of 2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide (CID 135320380) is 2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide is O=CNC1(c2cccc(C(C(=O)NO)c3ccccc3)c2)CCCCC1.
What is the InChIKey of 2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide?
The InChIKey is NOTIRWXOZGDJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-15-22-21(12-5-2-6-13-21)18-11-7-10-17(14-18)19(20(25)23-26)16-8-3-1-4-9-16/h1,3-4,7-11,14-15,19,26H,2,5-6,12-13H2,(H,22,24)(H,23,25).
What are the key properties of 2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide?
2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide has a molecular weight of 352.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-formamidocyclohexyl)phenyl]-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 135320380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).