2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide

C15H17NO3 — CID 82749573

IUPAC2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1ccccc1C#CCO)C1CCOC1
InChIInChI=1S/C15H17NO3/c1-16(13-8-10-19-11-13)15(18)14-7-3-2-5-12(14)6-4-9-17/h2-3,5,7,13,17H,8-11H2,1H3
InChIKeyHAXWUGCHRPDKSR-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.89
Rot. Bonds2

About 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide

2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide (PubChem CID 82749573) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
PubChem CID82749573
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1ccccc1C#CCO)C1CCOC1
InChIInChI=1S/C15H17NO3/c1-16(13-8-10-19-11-13)15(18)14-7-3-2-5-12(14)6-4-9-17/h2-3,5,7,13,17H,8-11H2,1H3
InChIKeyHAXWUGCHRPDKSR-UHFFFAOYSA-N
XLogP0.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82748039
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 107523010
5-(3-hydroxyprop-1-ynyl)-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82749477
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82729493
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 82748571
2-(3-aminoprop-1-ynyl)-N,5-dimethyl-N-(oxolan-3-yl)benzamide
CID 82748685
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816410
N-(1-cyclopropylethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 60815312
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
CID 60821770
2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60815314

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide (CID 82749573) is 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide is CN(C(=O)c1ccccc1C#CCO)C1CCOC1.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide?
The InChIKey is HAXWUGCHRPDKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16(13-8-10-19-11-13)15(18)14-7-3-2-5-12(14)6-4-9-17/h2-3,5,7,13,17H,8-11H2,1H3.
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide?
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 82749573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).