N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide

C21H24N2O3 — CID 112537173

IUPACN-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cccc3c2N(C(C)=O)CC3)cc1
InChIInChI=1S/C21H24N2O3/c1-3-26-18-10-7-16(8-11-18)9-12-20(25)22-19-6-4-5-17-13-14-23(15(2)24)21(17)19/h4-8,10-11H,3,9,12-14H2,1-2H3,(H,22,25)
InChIKeyNKVMDRJWXJHDGT-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.57
Rot. Bonds6

About N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide

N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide (PubChem CID 112537173) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide
PubChem CID112537173
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cccc3c2N(C(C)=O)CC3)cc1
InChIInChI=1S/C21H24N2O3/c1-3-26-18-10-7-16(8-11-18)9-12-20(25)22-19-6-4-5-17-13-14-23(15(2)24)21(17)19/h4-8,10-11H,3,9,12-14H2,1-2H3,(H,22,25)
InChIKeyNKVMDRJWXJHDGT-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide
CID 112537172
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide
CID 112537187
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 112537184
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537144
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
CID 19225981
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
CID 112537152
2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 110743982
N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 53267566
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849
3-(4-ethoxyphenyl)-N'-methylpropanehydrazide
CID 116846343
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide (CID 112537173) is N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2cccc3c2N(C(C)=O)CC3)cc1.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide?
The InChIKey is NKVMDRJWXJHDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-26-18-10-7-16(8-11-18)9-12-20(25)22-19-6-4-5-17-13-14-23(15(2)24)21(17)19/h4-8,10-11H,3,9,12-14H2,1-2H3,(H,22,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide?
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 112537173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).