N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide

C15H16N2O4 — CID 71821989

IUPACN-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2cccc2C=O)cc(OC)c1
InChIInChI=1S/C15H16N2O4/c1-20-13-6-11(7-14(8-13)21-2)16-15(19)9-17-5-3-4-12(17)10-18/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyGBKAWACAWHUZTH-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.96
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide (PubChem CID 71821989) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
PubChem CID71821989
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2cccc2C=O)cc(OC)c1
InChIInChI=1S/C15H16N2O4/c1-20-13-6-11(7-14(8-13)21-2)16-15(19)9-17-5-3-4-12(17)10-18/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyGBKAWACAWHUZTH-UHFFFAOYSA-N
XLogP1.96
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 82030896
ethyl 4-[[2-(2-formylpyrrol-1-yl)acetyl]amino]benzoate
CID 71683659
(E)-3-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrol-2-yl]prop-2-enoic acid
CID 39150273
N-ethyl-2-(2-formylpyrrol-1-yl)acetamide
CID 66410312
N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821982
methyl 2-[[2-(2-formylpyrrol-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39149048
2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62223154
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396038
2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 107017585
N-(3,5-dimethoxyphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2109103

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide (CID 71821989) is N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide is COc1cc(NC(=O)Cn2cccc2C=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide?
The InChIKey is GBKAWACAWHUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-13-6-11(7-14(8-13)21-2)16-15(19)9-17-5-3-4-12(17)10-18/h3-8,10H,9H2,1-2H3,(H,16,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide has a molecular weight of 288.30 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide is sourced from PubChem (CID 71821989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).