N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide

C25H24N2O3 — CID 2348110

IUPACN-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(OCC(=O)N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-18-7-9-20(10-8-18)25(29)26(2)21-11-13-22(14-12-21)30-17-24(28)27-16-15-19-5-3-4-6-23(19)27/h3-14H,15-17H2,1-2H3
InChIKeyVXWKKRPQPMQAAI-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.24
Rot. Bonds5

About N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide

N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide (PubChem CID 2348110) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide
PubChem CID2348110
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(OCC(=O)N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-18-7-9-20(10-8-18)25(29)26(2)21-11-13-22(14-12-21)30-17-24(28)27-16-15-19-5-3-4-6-23(19)27/h3-14H,15-17H2,1-2H3
InChIKeyVXWKKRPQPMQAAI-UHFFFAOYSA-N
XLogP4.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7919205
1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 895153
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-2-(4-methylphenoxy)acetamide
CID 110348963
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone
CID 17446546
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838496
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604678
1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78781598

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide?
The IUPAC name of N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide (CID 2348110) is N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide?
The canonical SMILES for N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)N3CCc4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide?
The InChIKey is VXWKKRPQPMQAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-18-7-9-20(10-8-18)25(29)26(2)21-11-13-22(14-12-21)30-17-24(28)27-16-15-19-5-3-4-6-23(19)27/h3-14H,15-17H2,1-2H3.
What are the key properties of N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide?
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide has a molecular weight of 400.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 2348110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).