N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide

C20H22N2O2 — CID 113100092

IUPACN-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCCc1ccc(OCCNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-2-15-7-9-17(10-8-15)24-12-11-21-20(23)13-16-14-22-19-6-4-3-5-18(16)19/h3-10,14,22H,2,11-13H2,1H3,(H,21,23)
InChIKeyIKLMCQNGQWEWGB-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.47
Rot. Bonds7

About N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide

N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113100092) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113100092
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCCc1ccc(OCCNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-2-15-7-9-17(10-8-15)24-12-11-21-20(23)13-16-14-22-19-6-4-3-5-18(16)19/h3-10,14,22H,2,11-13H2,1H3,(H,21,23)
InChIKeyIKLMCQNGQWEWGB-UHFFFAOYSA-N
XLogP3.47
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
CID 86069599
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 17412889
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
N-(3-ethenoxypropyl)-2-(1H-indol-3-yl)acetamide
CID 60654256
2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445
N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide (CID 113100092) is N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide is CCc1ccc(OCCNC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is IKLMCQNGQWEWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-15-7-9-17(10-8-15)24-12-11-21-20(23)13-16-14-22-19-6-4-3-5-18(16)19/h3-10,14,22H,2,11-13H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113100092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).