N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide

C14H16N2O3 — CID 3235897

IUPACN-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide
SMILESCOc1ccc(NC(=O)Cn2cccc2)c(OC)c1
InChIInChI=1S/C14H16N2O3/c1-18-11-5-6-12(13(9-11)19-2)15-14(17)10-16-7-3-4-8-16/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyMRPMLQQKAJUKQL-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.14
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide

N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide (PubChem CID 3235897) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide
PubChem CID3235897
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide
SMILESCOc1ccc(NC(=O)Cn2cccc2)c(OC)c1
InChIInChI=1S/C14H16N2O3/c1-18-11-5-6-12(13(9-11)19-2)15-14(17)10-16-7-3-4-8-16/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyMRPMLQQKAJUKQL-UHFFFAOYSA-N
XLogP2.14
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide (CID 3235897) is N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide is COc1ccc(NC(=O)Cn2cccc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide?
The InChIKey is MRPMLQQKAJUKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-11-5-6-12(13(9-11)19-2)15-14(17)10-16-7-3-4-8-16/h3-9H,10H2,1-2H3,(H,15,17).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide?
N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide has a molecular weight of 260.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 3235897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).