2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide

C15H16N2O3 — CID 71683676

IUPAC2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cccc1C=O
InChIInChI=1S/C15H16N2O3/c1-11-5-6-14(20-2)13(8-11)16-15(19)9-17-7-3-4-12(17)10-18/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyPKZJUHRLEWNTAC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.26
Rot. Bonds5

About 2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide

2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 71683676) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID71683676
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cccc1C=O
InChIInChI=1S/C15H16N2O3/c1-11-5-6-14(20-2)13(8-11)16-15(19)9-17-7-3-4-12(17)10-18/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyPKZJUHRLEWNTAC-UHFFFAOYSA-N
XLogP2.26
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71683654
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(2-methoxy-5-methylphenyl)-2-(4-oxo-5H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395627
2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 976850
N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 53037423
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(5-amino-2-methoxyphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 63172234
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 100740360
N-(2-methoxy-5-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)acetamide
CID 84573070
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide (CID 71683676) is 2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1cccc1C=O.
What is the InChIKey of 2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is PKZJUHRLEWNTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11-5-6-14(20-2)13(8-11)16-15(19)9-17-7-3-4-12(17)10-18/h3-8,10H,9H2,1-2H3,(H,16,19).
What are the key properties of 2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 272.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 71683676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).