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

C18H24N2O2 — CID 110773658

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
SMILESCOc1cccc(CCNC(=O)Cc2cc(C)n(C)c2C)c1
InChIInChI=1S/C18H24N2O2/c1-13-10-16(14(2)20(13)3)12-18(21)19-9-8-15-6-5-7-17(11-15)22-4/h5-7,10-11H,8-9,12H2,1-4H3,(H,19,21)
InChIKeyGZVBYTNAIQJHRG-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.55
Rot. Bonds6

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

N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide (PubChem CID 110773658) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
PubChem CID110773658
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
SMILESCOc1cccc(CCNC(=O)Cc2cc(C)n(C)c2C)c1
InChIInChI=1S/C18H24N2O2/c1-13-10-16(14(2)20(13)3)12-18(21)19-9-8-15-6-5-7-17(11-15)22-4/h5-7,10-11H,8-9,12H2,1-4H3,(H,19,21)
InChIKeyGZVBYTNAIQJHRG-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

2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110415554
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 47041902
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 564164
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 38002281
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide (CID 110773658) is N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide is COc1cccc(CCNC(=O)Cc2cc(C)n(C)c2C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
The InChIKey is GZVBYTNAIQJHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-10-16(14(2)20(13)3)12-18(21)19-9-8-15-6-5-7-17(11-15)22-4/h5-7,10-11H,8-9,12H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide?
N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)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 N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide is sourced from PubChem (CID 110773658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).