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

C20H22N2O3 — CID 18588016

IUPACN-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)C1Cc2ccccc2N1C(=O)COc1cccc(C)c1
InChIInChI=1S/C20H22N2O3/c1-3-21-20(24)18-12-15-8-4-5-10-17(15)22(18)19(23)13-25-16-9-6-7-14(2)11-16/h4-11,18H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyOGHPYTURGZDKDE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.47
Rot. Bonds5

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

N-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 18588016) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide
PubChem CID18588016
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)C1Cc2ccccc2N1C(=O)COc1cccc(C)c1
InChIInChI=1S/C20H22N2O3/c1-3-21-20(24)18-12-15-8-4-5-10-17(15)22(18)19(23)13-25-16-9-6-7-14(2)11-16/h4-11,18H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyOGHPYTURGZDKDE-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide (CID 18588016) is N-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide is CCNC(=O)C1Cc2ccccc2N1C(=O)COc1cccc(C)c1.
What is the InChIKey of N-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is OGHPYTURGZDKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-21-20(24)18-12-15-8-4-5-10-17(15)22(18)19(23)13-25-16-9-6-7-14(2)11-16/h4-11,18H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide?
N-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3-methylphenoxy)acetyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18588016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).