2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide

C19H20N2O3 — CID 110702432

IUPAC2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cn2ccc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-23-16-6-8-17(9-7-16)24-13-11-20-19(22)14-21-12-10-15-4-2-3-5-18(15)21/h2-10,12H,11,13-14H2,1H3,(H,20,22)
InChIKeyBWJJDCNDKBHFJO-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.85
Rot. Bonds7

About 2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide

2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 110702432) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID110702432
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cn2ccc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-23-16-6-8-17(9-7-16)24-13-11-20-19(22)14-21-12-10-15-4-2-3-5-18(15)21/h2-10,12H,11,13-14H2,1H3,(H,20,22)
InChIKeyBWJJDCNDKBHFJO-UHFFFAOYSA-N
XLogP2.85
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.85
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

2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 18121535
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 46461924
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide
CID 108750586
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide
CID 109005309
N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17080332
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109000031
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide (CID 110702432) is 2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide is COc1ccc(OCCNC(=O)Cn2ccc3ccccc32)cc1.
What is the InChIKey of 2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is BWJJDCNDKBHFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-16-6-8-17(9-7-16)24-13-11-20-19(22)14-21-12-10-15-4-2-3-5-18(15)21/h2-10,12H,11,13-14H2,1H3,(H,20,22).
What are the key properties of 2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 110702432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).