2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide

C18H17NO2 — CID 60903217

IUPAC2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccccc2C#CCO)c1
InChIInChI=1S/C18H17NO2/c1-14-6-4-7-15(12-14)13-19-18(21)17-10-3-2-8-16(17)9-5-11-20/h2-4,6-8,10,12,20H,11,13H2,1H3,(H,19,21)
InChIKeyWRAZPHFLFYWJPI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.27
Rot. Bonds3

About 2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide

2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 60903217) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide
PubChem CID60903217
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccccc2C#CCO)c1
InChIInChI=1S/C18H17NO2/c1-14-6-4-7-15(12-14)13-19-18(21)17-10-3-2-8-16(17)9-5-11-20/h2-4,6-8,10,12,20H,11,13H2,1H3,(H,19,21)
InChIKeyWRAZPHFLFYWJPI-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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

3-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 107521456
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
5-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62959335
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968
2-[[2-(3-hydroxyprop-1-ynyl)benzoyl]amino]acetic acid
CID 169485909
N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816213
N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
CID 63107843
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 115991498
N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 54921802
2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422353
N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 10645141

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide (CID 60903217) is 2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccccc2C#CCO)c1.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is WRAZPHFLFYWJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-14-6-4-7-15(12-14)13-19-18(21)17-10-3-2-8-16(17)9-5-11-20/h2-4,6-8,10,12,20H,11,13H2,1H3,(H,19,21).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide?
2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 60903217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).