3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide

C17H15NO3 — CID 60815302

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(C#CCO)c2)c1
InChIInChI=1S/C17H15NO3/c1-21-16-9-3-8-15(12-16)18-17(20)14-7-2-5-13(11-14)6-4-10-19/h2-3,5,7-9,11-12,19H,10H2,1H3,(H,18,20)
InChIKeyBUWWCMDZTJYFRI-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.29
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide

3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide (PubChem CID 60815302) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
PubChem CID60815302
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(C#CCO)c2)c1
InChIInChI=1S/C17H15NO3/c1-21-16-9-3-8-15(12-16)18-17(20)14-7-2-5-13(11-14)6-4-10-19/h2-3,5,7-9,11-12,19H,10H2,1H3,(H,18,20)
InChIKeyBUWWCMDZTJYFRI-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816686
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide
CID 60803244
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 105064266
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971
methyl 3-[2-[3-[(3-methoxycarbonylbenzoyl)amino]phenyl]ethynyl]benzoate
CID 55758820
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide (CID 60815302) is 3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cccc(C#CCO)c2)c1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide?
The InChIKey is BUWWCMDZTJYFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-16-9-3-8-15(12-16)18-17(20)14-7-2-5-13(11-14)6-4-10-19/h2-3,5,7-9,11-12,19H,10H2,1H3,(H,18,20).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide?
3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide has a molecular weight of 281.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 60815302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).