N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide

C20H22N2O2 — CID 2450324

IUPACN-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-3-24-17-10-8-15(9-11-17)14-22(2)20(23)12-16-13-21-19-7-5-4-6-18(16)19/h4-11,13,21H,3,12,14H2,1-2H3
InChIKeyFGJQXAZLWGOQOH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.77
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide

N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide (PubChem CID 2450324) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
PubChem CID2450324
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-3-24-17-10-8-15(9-11-17)14-22(2)20(23)12-16-13-21-19-7-5-4-6-18(16)19/h4-11,13,21H,3,12,14H2,1-2H3
InChIKeyFGJQXAZLWGOQOH-UHFFFAOYSA-N
XLogP3.77
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide (CID 2450324) is N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide is CCOc1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The InChIKey is FGJQXAZLWGOQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-24-17-10-8-15(9-11-17)14-22(2)20(23)12-16-13-21-19-7-5-4-6-18(16)19/h4-11,13,21H,3,12,14H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide has a molecular weight of 322.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 2450324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).