N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide

C14H14N2O3 — CID 53123862

IUPACN-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)c1ccc[nH]1
InChIInChI=1S/C14H14N2O3/c1-9-5-6-12(19-2)11(8-9)16-14(18)13(17)10-4-3-7-15-10/h3-8,15H,1-2H3,(H,16,18)
InChIKeyPXDKJOLOLZGZIZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.15
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide

N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 53123862) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide
PubChem CID53123862
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)c1ccc[nH]1
InChIInChI=1S/C14H14N2O3/c1-9-5-6-12(19-2)11(8-9)16-14(18)13(17)10-4-3-7-15-10/h3-8,15H,1-2H3,(H,16,18)
InChIKeyPXDKJOLOLZGZIZ-UHFFFAOYSA-N
XLogP2.15
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 113208672
N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515607
N'-(2-methoxy-5-methylphenyl)-N-pyridin-2-yloxamide
CID 44999243
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide
CID 108987294
N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108515639
N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108513847
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
N-(4-amino-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 155119428
N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515633

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide (CID 53123862) is N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide is COc1ccc(C)cc1NC(=O)C(=O)c1ccc[nH]1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is PXDKJOLOLZGZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-5-6-12(19-2)11(8-9)16-14(18)13(17)10-4-3-7-15-10/h3-8,15H,1-2H3,(H,16,18).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide?
N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 258.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 53123862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).