2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide

C17H22N2O2 — CID 110786230

IUPAC2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCc2cc(C)n(C)c2C)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-16(8-12)21-11-17(20)18-10-15-9-13(2)19(4)14(15)3/h5-9H,10-11H2,1-4H3,(H,18,20)
InChIKeyMJQKRXOORYPRNA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide

2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide (PubChem CID 110786230) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide
PubChem CID110786230
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCc2cc(C)n(C)c2C)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-16(8-12)21-11-17(20)18-10-15-9-13(2)19(4)14(15)3/h5-9H,10-11H2,1-4H3,(H,18,20)
InChIKeyMJQKRXOORYPRNA-UHFFFAOYSA-N
XLogP2.65
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide
CID 110730402
N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110782432
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 37398686
2-(3-methylphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 110734260
diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium
CID 9073302
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110714847
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 42007165

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide (CID 110786230) is 2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide is Cc1cccc(OCC(=O)NCc2cc(C)n(C)c2C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide?
The InChIKey is MJQKRXOORYPRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-5-7-16(8-12)21-11-17(20)18-10-15-9-13(2)19(4)14(15)3/h5-9H,10-11H2,1-4H3,(H,18,20).
What are the key properties of 2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide?
2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide is sourced from PubChem (CID 110786230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).