N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide

C22H25NO2 — CID 135320296

IUPACN-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide
SMILESCCCCCCC#Cc1cccc(C(C(=O)NO)c2ccccc2)c1
InChIInChI=1S/C22H25NO2/c1-2-3-4-5-6-8-12-18-13-11-16-20(17-18)21(22(24)23-25)19-14-9-7-10-15-19/h7,9-11,13-17,21,25H,2-6H2,1H3,(H,23,24)
InChIKeySSNCCEWELFTDTA-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.65
Rot. Bonds7

About N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide

N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide (PubChem CID 135320296) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide
PubChem CID135320296
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide
SMILESCCCCCCC#Cc1cccc(C(C(=O)NO)c2ccccc2)c1
InChIInChI=1S/C22H25NO2/c1-2-3-4-5-6-8-12-18-13-11-16-20(17-18)21(22(24)23-25)19-14-9-7-10-15-19/h7,9-11,13-17,21,25H,2-6H2,1H3,(H,23,24)
InChIKeySSNCCEWELFTDTA-UHFFFAOYSA-N
XLogP4.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1,3-dihydroxy-1-(3-undec-1-ynylphenyl)propan-2-yl]acetamide
CID 18373000
tridec-1-ynylbenzene
CID 19991064
1-docos-1-ynyl-3-[1-(3-docos-1-ynylphenyl)-3-methylundecyl]benzene
CID 173180854
ethane;non-1-ynylbenzene
CID 143616673
(2S)-2-amino-1-(3-dodec-1-ynylphenyl)propane-1,3-diol
CID 57059061
1-bromo-3-non-1-ynylbenzene
CID 155367802
[(2R)-2-amino-1-(3-dodec-1-ynylphenyl)-3-hydroxypropyl] acetate
CID 57074500
3-[(3-tridec-1-ynylphenyl)methyl]pentanedioic acid
CID 70447170
N-dodecyl-2,2-diphenylacetamide
CID 5143289
3-hept-1-ynyl-N-(1-hydroxypropan-2-yl)benzamide
CID 59260246
2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 24616941
(3S)-3-[(3-oct-1-ynylphenyl)sulfamoylamino]pentanoic acid
CID 89472649

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide?
The IUPAC name of N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide (CID 135320296) is N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide.
What is the SMILES notation for N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide?
The canonical SMILES for N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide is CCCCCCC#Cc1cccc(C(C(=O)NO)c2ccccc2)c1.
What is the InChIKey of N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide?
The InChIKey is SSNCCEWELFTDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-2-3-4-5-6-8-12-18-13-11-16-20(17-18)21(22(24)23-25)19-14-9-7-10-15-19/h7,9-11,13-17,21,25H,2-6H2,1H3,(H,23,24).
What are the key properties of N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide?
N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide has a molecular weight of 335.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(3-oct-1-ynylphenyl)-2-phenylacetamide is sourced from PubChem (CID 135320296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).