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

C20H22N2O2 — CID 110782432

IUPACN-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCc2c(C)n(C)c3ccccc23)c1
InChIInChI=1S/C20H22N2O2/c1-14-7-6-8-16(11-14)24-13-20(23)21-12-18-15(2)22(3)19-10-5-4-9-17(18)19/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeySEAUZCDAXVQXMK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.49
Rot. Bonds5

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

N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide (PubChem CID 110782432) 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-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
PubChem CID110782432
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCc2c(C)n(C)c3ccccc23)c1
InChIInChI=1S/C20H22N2O2/c1-14-7-6-8-16(11-14)24-13-20(23)21-12-18-15(2)22(3)19-10-5-4-9-17(18)19/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeySEAUZCDAXVQXMK-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-(4-methylphenoxy)acetamide
CID 110782421
2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide
CID 110786230
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 110789127
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
2-(3-methylphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 110734260
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide
CID 110730402
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110714847
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide
CID 87023050
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 37398686

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide (CID 110782432) is N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCc2c(C)n(C)c3ccccc23)c1.
What is the InChIKey of N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is SEAUZCDAXVQXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-7-6-8-16(11-14)24-13-20(23)21-12-18-15(2)22(3)19-10-5-4-9-17(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-(3-methylphenoxy)acetamide?
N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 110782432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).