2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide

C18H24N2O2 — CID 110415554

IUPAC2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2cc(C)n(C)c2C)cc1
InChIInChI=1S/C18H24N2O2/c1-13-11-16(14(2)20(13)3)9-10-19-18(21)12-15-5-7-17(22-4)8-6-15/h5-8,11H,9-10,12H2,1-4H3,(H,19,21)
InChIKeySKEXKFADGRGREV-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.55
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide

2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide (PubChem CID 110415554) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
PubChem CID110415554
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2cc(C)n(C)c2C)cc1
InChIInChI=1S/C18H24N2O2/c1-13-11-16(14(2)20(13)3)9-10-19-18(21)12-15-5-7-17(22-4)8-6-15/h5-8,11H,9-10,12H2,1-4H3,(H,19,21)
InChIKeySKEXKFADGRGREV-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

N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773658
2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110791950
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
CID 110791942
2-(4-methoxyphenyl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110666491
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 110688954
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773689
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,5-trimethoxyphenyl)acetamide
CID 134090189

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide (CID 110415554) is 2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide is COc1ccc(CC(=O)NCCc2cc(C)n(C)c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide?
The InChIKey is SKEXKFADGRGREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-11-16(14(2)20(13)3)9-10-19-18(21)12-15-5-7-17(22-4)8-6-15/h5-8,11H,9-10,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide?
2-(4-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-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide is sourced from PubChem (CID 110415554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).