N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide

C14H16N2O2 — CID 6623074

IUPACN-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide
SMILESCOc1ccccc1CNC(=O)Cn1cccc1
InChIInChI=1S/C14H16N2O2/c1-18-13-7-3-2-6-12(13)10-15-14(17)11-16-8-4-5-9-16/h2-9H,10-11H2,1H3,(H,15,17)
InChIKeyRAHIDLHLWJLWMJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.81
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide

N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide (PubChem CID 6623074) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide
PubChem CID6623074
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide
SMILESCOc1ccccc1CNC(=O)Cn1cccc1
InChIInChI=1S/C14H16N2O2/c1-18-13-7-3-2-6-12(13)10-15-14(17)11-16-8-4-5-9-16/h2-9H,10-11H2,1H3,(H,15,17)
InChIKeyRAHIDLHLWJLWMJ-UHFFFAOYSA-N
XLogP1.81
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide (CID 6623074) is N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide is COc1ccccc1CNC(=O)Cn1cccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide?
The InChIKey is RAHIDLHLWJLWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-13-7-3-2-6-12(13)10-15-14(17)11-16-8-4-5-9-16/h2-9H,10-11H2,1H3,(H,15,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide?
N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide has a molecular weight of 244.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 6623074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).