N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide

C18H20N2O3 — CID 112971555

IUPACN-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
SMILESCOc1cccc(OCCNC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H20N2O3/c1-22-15-6-4-7-16(13-15)23-12-10-19-18(21)20-11-9-14-5-2-3-8-17(14)20/h2-8,13H,9-12H2,1H3,(H,19,21)
InChIKeyGEIRLULCXKEJTA-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide

N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 112971555) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
PubChem CID112971555
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
SMILESCOc1cccc(OCCNC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H20N2O3/c1-22-15-6-4-7-16(13-15)23-12-10-19-18(21)20-11-9-14-5-2-3-8-17(14)20/h2-8,13H,9-12H2,1H3,(H,19,21)
InChIKeyGEIRLULCXKEJTA-UHFFFAOYSA-N
XLogP2.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide
CID 87108850
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
1-(2,3-dihydroindol-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
CID 109005214
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 113217130
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
3-(2,3-dihydroindol-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948672
methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate
CID 60591298
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
1-(cyclopropanecarbonyl)-N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100555023
N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 41253166
N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 112974330

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide (CID 112971555) is N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide is COc1cccc(OCCNC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is GEIRLULCXKEJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-15-6-4-7-16(13-15)23-12-10-19-18(21)20-11-9-14-5-2-3-8-17(14)20/h2-8,13H,9-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide?
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 112971555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).