3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

C16H18N2O3 — CID 106258823

IUPAC3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCc1cc(C#CCO)cc(C(=O)NC2CCN(C)C2=O)c1
InChIInChI=1S/C16H18N2O3/c1-11-8-12(4-3-7-19)10-13(9-11)15(20)17-14-5-6-18(2)16(14)21/h8-10,14,19H,5-7H2,1-2H3,(H,17,20)
InChIKeyOHLWPWFYPWBWMI-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.30
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (PubChem CID 106258823) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
PubChem CID106258823
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCc1cc(C#CCO)cc(C(=O)NC2CCN(C)C2=O)c1
InChIInChI=1S/C16H18N2O3/c1-11-8-12(4-3-7-19)10-13(9-11)15(20)17-14-5-6-18(2)16(14)21/h8-10,14,19H,5-7H2,1-2H3,(H,17,20)
InChIKeyOHLWPWFYPWBWMI-UHFFFAOYSA-N
XLogP0.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.30
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

3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114163964
5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide
CID 106258829
2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 104952562
3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113239507
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485875
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106217813
[4-(hydroxymethyl)piperidin-1-yl]-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 115999970
2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106253688
azepan-1-yl-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 115999799
5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 106258786
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-5-methylbenzamide
CID 115999776
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257175

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (CID 106258823) is 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is Cc1cc(C#CCO)cc(C(=O)NC2CCN(C)C2=O)c1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The InChIKey is OHLWPWFYPWBWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-8-12(4-3-7-19)10-13(9-11)15(20)17-14-5-6-18(2)16(14)21/h8-10,14,19H,5-7H2,1-2H3,(H,17,20).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide has a molecular weight of 286.33 g/mol, XLogP of 0.30, 2 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)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 106258823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).