N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide

C19H20N2O3 — CID 17492048

IUPACN-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H20N2O3/c1-21-13-17(16-5-3-4-6-18(16)21)19(22)20-11-12-24-15-9-7-14(23-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,22)
InChIKeyJEZDWIQMJLYGET-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide (PubChem CID 17492048) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
PubChem CID17492048
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H20N2O3/c1-21-13-17(16-5-3-4-6-18(16)21)19(22)20-11-12-24-15-9-7-14(23-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,22)
InChIKeyJEZDWIQMJLYGET-UHFFFAOYSA-N
XLogP3.00
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.00
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

N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691288
2-[2-[(1-methylindole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241754
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide
CID 113212396
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide (CID 17492048) is N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide is COc1ccc(OCCNC(=O)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide?
The InChIKey is JEZDWIQMJLYGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21-13-17(16-5-3-4-6-18(16)21)19(22)20-11-12-24-15-9-7-14(23-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 17492048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).