N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide

C17H22N2O3 — CID 110691288

IUPACN-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(C)n(C)c2C)cc1
InChIInChI=1S/C17H22N2O3/c1-12-11-16(13(2)19(12)3)17(20)18-9-10-22-15-7-5-14(21-4)6-8-15/h5-8,11H,9-10H2,1-4H3,(H,18,20)
InChIKeyXEFKSXZNLXLXSN-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.46
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 110691288) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
PubChem CID110691288
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(C)n(C)c2C)cc1
InChIInChI=1S/C17H22N2O3/c1-12-11-16(13(2)19(12)3)17(20)18-9-10-22-15-7-5-14(21-4)6-8-15/h5-8,11H,9-10H2,1-4H3,(H,18,20)
InChIKeyXEFKSXZNLXLXSN-UHFFFAOYSA-N
XLogP2.46
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682600
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide
CID 113212396
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
2-(4-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110415554
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide (CID 110691288) is N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide is COc1ccc(OCCNC(=O)c2cc(C)n(C)c2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is XEFKSXZNLXLXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-11-16(13(2)19(12)3)17(20)18-9-10-22-15-7-5-14(21-4)6-8-15/h5-8,11H,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 110691288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).