N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide

C20H22N2O2 — CID 110782421

IUPACN-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-14-8-10-16(11-9-14)24-13-20(23)21-12-18-15(2)22(3)19-7-5-4-6-17(18)19/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyOOECFOOQICPVFK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.49
Rot. Bonds5

About N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide

N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 110782421) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
PubChem CID110782421
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-14-8-10-16(11-9-14)24-13-20(23)21-12-18-15(2)22(3)19-7-5-4-6-17(18)19/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyOOECFOOQICPVFK-UHFFFAOYSA-N
XLogP3.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110782432
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 110789127
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
CID 3510874
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110712110
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6865589
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30128820
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide (CID 110782421) is N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCc2c(C)n(C)c3ccccc23)cc1.
What is the InChIKey of N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is OOECFOOQICPVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-8-10-16(11-9-14)24-13-20(23)21-12-18-15(2)22(3)19-7-5-4-6-17(18)19/h4-11H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide?
N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110782421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).