4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide

C20H22N2O3 — CID 75865755

IUPAC4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide
SMILESCc1ccc(C(N)=O)c(OC(C)C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C20H22N2O3/c1-12-8-9-16(19(21)23)18(10-12)25-14(3)20(24)22-13(2)11-15-6-4-5-7-17(15)22/h4-10,13-14H,11H2,1-3H3,(H2,21,23)
InChIKeyNDYDXSPVRZVURJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.84
Rot. Bonds4

About 4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide

4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 75865755) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide
PubChem CID75865755
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide
SMILESCc1ccc(C(N)=O)c(OC(C)C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C20H22N2O3/c1-12-8-9-16(19(21)23)18(10-12)25-14(3)20(24)22-13(2)11-15-6-4-5-7-17(15)22/h4-10,13-14H,11H2,1-3H3,(H2,21,23)
InChIKeyNDYDXSPVRZVURJ-UHFFFAOYSA-N
XLogP2.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 46772889
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 7373194
(2S)-2-(2-acetyl-5-methoxyphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 35796891
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92685321
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-methylbenzoate
CID 11919735
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7485583
2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 43909683
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-methylbenzoate
CID 7717966
[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 42887399
2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 42968436
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 7175483
(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100527033

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of 4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide (CID 75865755) is 4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for 4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for 4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide is Cc1ccc(C(N)=O)c(OC(C)C(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of 4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is NDYDXSPVRZVURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12-8-9-16(19(21)23)18(10-12)25-14(3)20(24)22-13(2)11-15-6-4-5-7-17(15)22/h4-10,13-14H,11H2,1-3H3,(H2,21,23).
What are the key properties of 4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide?
4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 338.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 75865755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).