N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide

C18H17NO2 — CID 60816213

IUPACN-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccccc2C#CCO)c1
InChIInChI=1S/C18H17NO2/c1-2-14-7-5-10-16(13-14)19-18(21)17-11-4-3-8-15(17)9-6-12-20/h3-5,7-8,10-11,13,20H,2,12H2,1H3,(H,19,21)
InChIKeyFKMQLCGCWWSUSI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.85
Rot. Bonds3

About N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide

N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 60816213) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID60816213
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccccc2C#CCO)c1
InChIInChI=1S/C18H17NO2/c1-2-14-7-5-10-16(13-14)19-18(21)17-11-4-3-8-15(17)9-6-12-20/h3-5,7-8,10-11,13,20H,2,12H2,1H3,(H,19,21)
InChIKeyFKMQLCGCWWSUSI-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62812600
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240557
N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816523
2-(4-hydroxybut-1-ynyl)-N-(3-methylphenyl)benzamide
CID 60817631
2-[(3-ethylphenyl)carbamoyl]benzoic acid;propan-2-one
CID 123349577
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide
CID 60903217
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
CID 60804519
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482247
2-hex-1-ynyl-N-phenylbenzamide
CID 102337761

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide (CID 60816213) is N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide is CCc1cccc(NC(=O)c2ccccc2C#CCO)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is FKMQLCGCWWSUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-14-7-5-10-16(13-14)19-18(21)17-11-4-3-8-15(17)9-6-12-20/h3-5,7-8,10-11,13,20H,2,12H2,1H3,(H,19,21).
What are the key properties of N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 60816213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).