N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide

C20H22N2O3 — CID 113128955

IUPACN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(CCC(=O)N2CCc3ccccc32)C(C)=O)c1
InChIInChI=1S/C20H22N2O3/c1-15(23)21(17-7-5-8-18(14-17)25-2)13-11-20(24)22-12-10-16-6-3-4-9-19(16)22/h3-9,14H,10-13H2,1-2H3
InChIKeyXJUKHHJNZLBBMM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.03
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide

N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 113128955) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
PubChem CID113128955
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(CCC(=O)N2CCc3ccccc32)C(C)=O)c1
InChIInChI=1S/C20H22N2O3/c1-15(23)21(17-7-5-8-18(14-17)25-2)13-11-20(24)22-12-10-16-6-3-4-9-19(16)22/h3-9,14H,10-13H2,1-2H3
InChIKeyXJUKHHJNZLBBMM-UHFFFAOYSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methoxyphenyl)acetamide
CID 113128782
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)acetamide
CID 113132426
N-(2,6-dichlorophenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113134217
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide
CID 113124722
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113132893
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129882
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113122079
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113135745
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128945
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113122513

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide (CID 113128955) is N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(N(CCC(=O)N2CCc3ccccc32)C(C)=O)c1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is XJUKHHJNZLBBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(23)21(17-7-5-8-18(14-17)25-2)13-11-20(24)22-12-10-16-6-3-4-9-19(16)22/h3-9,14H,10-13H2,1-2H3.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide?
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113128955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).