2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide

C18H24N2O2 — CID 110791950

IUPAC2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
SMILESCOc1ccccc1CC(=O)NCCc1cc(C)n(C)c1C
InChIInChI=1S/C18H24N2O2/c1-13-11-15(14(2)20(13)3)9-10-19-18(21)12-16-7-5-6-8-17(16)22-4/h5-8,11H,9-10,12H2,1-4H3,(H,19,21)
InChIKeyXIIAKXLLXLSJCL-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.55
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide

2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide (PubChem CID 110791950) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
PubChem CID110791950
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
SMILESCOc1ccccc1CC(=O)NCCc1cc(C)n(C)c1C
InChIInChI=1S/C18H24N2O2/c1-13-11-15(14(2)20(13)3)9-10-19-18(21)12-16-7-5-6-8-17(16)22-4/h5-8,11H,9-10,12H2,1-4H3,(H,19,21)
InChIKeyXIIAKXLLXLSJCL-UHFFFAOYSA-N
XLogP2.55
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
CID 110641432
2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110415554
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113199035
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 110790394
N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide
CID 39314062
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide (CID 110791950) is 2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide is COc1ccccc1CC(=O)NCCc1cc(C)n(C)c1C.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide?
The InChIKey is XIIAKXLLXLSJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-11-15(14(2)20(13)3)9-10-19-18(21)12-16-7-5-6-8-17(16)22-4/h5-8,11H,9-10,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide?
2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide has a molecular weight of 300.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide is sourced from PubChem (CID 110791950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).