2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide

C19H20N2O4 — CID 31038832

IUPAC2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(O[C@H](C)C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H20N2O4/c1-12(19(23)21-10-9-13-5-3-4-6-16(13)21)25-17-11-14(24-2)7-8-15(17)18(20)22/h3-8,11-12H,9-10H2,1-2H3,(H2,20,22)/t12-/m1/s1
InChIKeyTWKQZMOBQZMTSJ-GFCCVEGCSA-N
MW340.38 g/mol
LogP2.15
Rot. Bonds5

About 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide

2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide (PubChem CID 31038832) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide.

Molecular Properties

Compound Name2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
PubChem CID31038832
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(O[C@H](C)C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H20N2O4/c1-12(19(23)21-10-9-13-5-3-4-6-16(13)21)25-17-11-14(24-2)7-8-15(17)18(20)22/h3-8,11-12H,9-10H2,1-2H3,(H2,20,22)/t12-/m1/s1
InChIKeyTWKQZMOBQZMTSJ-GFCCVEGCSA-N
XLogP2.15
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 132650039
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 16523585
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 7787960
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7425461
(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26075972
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7763850
(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 2708811
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
4-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 16540669
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
CID 8604781

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
The IUPAC name of 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide (CID 31038832) is 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide.
What is the SMILES notation for 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
The canonical SMILES for 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide is COc1ccc(C(N)=O)c(O[C@H](C)C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
The InChIKey is TWKQZMOBQZMTSJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(19(23)21-10-9-13-5-3-4-6-16(13)21)25-17-11-14(24-2)7-8-15(17)18(20)22/h3-8,11-12H,9-10H2,1-2H3,(H2,20,22)/t12-/m1/s1.
What are the key properties of 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide has a molecular weight of 340.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-4-methoxybenzamide is sourced from PubChem (CID 31038832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).