N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide

C22H25N3O3 — CID 26355956

IUPACN-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O3/c1-3-25(15-21(26)24-19-10-6-7-11-20(19)28-2)22(27)13-12-16-14-23-18-9-5-4-8-17(16)18/h4-11,14,23H,3,12-13,15H2,1-2H3,(H,24,26)
InChIKeyCSKIWDPCFJBHSX-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.60
Rot. Bonds8

About N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide

N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide (PubChem CID 26355956) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
PubChem CID26355956
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O3/c1-3-25(15-21(26)24-19-10-6-7-11-20(19)28-2)22(27)13-12-16-14-23-18-9-5-4-8-17(16)18/h4-11,14,23H,3,12-13,15H2,1-2H3,(H,24,26)
InChIKeyCSKIWDPCFJBHSX-UHFFFAOYSA-N
XLogP3.60
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
CID 109027558
N-ethyl-3-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 51184271
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
3-(4-chlorophenyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 38803115
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide
CID 27833488
4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 25161859
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 5213116
N-ethyl-3-(3-fluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 38803128
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)propanamide
CID 79380294
N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054534
methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate
CID 23336475

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide?
The IUPAC name of N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide (CID 26355956) is N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide?
The canonical SMILES for N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide?
The InChIKey is CSKIWDPCFJBHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-25(15-21(26)24-19-10-6-7-11-20(19)28-2)22(27)13-12-16-14-23-18-9-5-4-8-17(16)18/h4-11,14,23H,3,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide?
N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 26355956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).