N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C22H26N2O4 — CID 113122079

IUPACN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CCC(=O)N2CCc3ccccc32)C(C)=O)cc1OC
InChIInChI=1S/C22H26N2O4/c1-16(25)23(15-17-8-9-20(27-2)21(14-17)28-3)12-11-22(26)24-13-10-18-6-4-5-7-19(18)24/h4-9,14H,10-13,15H2,1-3H3
InChIKeyHRNVKDRSRPWETQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.03
Rot. Bonds7

About N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 113122079) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID113122079
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CCC(=O)N2CCc3ccccc32)C(C)=O)cc1OC
InChIInChI=1S/C22H26N2O4/c1-16(25)23(15-17-8-9-20(27-2)21(14-17)28-3)12-11-22(26)24-13-10-18-6-4-5-7-19(18)24/h4-9,14H,10-13,15H2,1-3H3
InChIKeyHRNVKDRSRPWETQ-UHFFFAOYSA-N
XLogP3.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113122080
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methoxyphenyl)acetamide
CID 113128782
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113121269
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide
CID 113118805
1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
CID 109003066
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128955
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111097809
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one
CID 2455303
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113122513
2-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506307
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
CID 8515151

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 113122079) is N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CN(CCC(=O)N2CCc3ccccc32)C(C)=O)cc1OC.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is HRNVKDRSRPWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-16(25)23(15-17-8-9-20(27-2)21(14-17)28-3)12-11-22(26)24-13-10-18-6-4-5-7-19(18)24/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113122079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).