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

C19H26N2O2 — CID 110641432

IUPAC3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCCc1cc(C)n(C)c1C
InChIInChI=1S/C19H26N2O2/c1-14-13-17(15(2)21(14)3)11-12-20-19(22)10-9-16-7-5-6-8-18(16)23-4/h5-8,13H,9-12H2,1-4H3,(H,20,22)
InChIKeyIEEOSMKMHBUULP-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.94
Rot. Bonds7

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

3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide (PubChem CID 110641432) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
PubChem CID110641432
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCCc1cc(C)n(C)c1C
InChIInChI=1S/C19H26N2O2/c1-14-13-17(15(2)21(14)3)11-12-20-19(22)10-9-16-7-5-6-8-18(16)23-4/h5-8,13H,9-12H2,1-4H3,(H,20,22)
InChIKeyIEEOSMKMHBUULP-UHFFFAOYSA-N
XLogP2.94
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110791950
3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
CID 110791942
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110415554
3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31590171
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide (CID 110641432) is 3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide is COc1ccccc1CCC(=O)NCCc1cc(C)n(C)c1C.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide?
The InChIKey is IEEOSMKMHBUULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-13-17(15(2)21(14)3)11-12-20-19(22)10-9-16-7-5-6-8-18(16)23-4/h5-8,13H,9-12H2,1-4H3,(H,20,22).
What are the key properties of 3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide?
3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide has a molecular weight of 314.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide is sourced from PubChem (CID 110641432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).