2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide

C22H28N2O3 — CID 26394326

IUPAC2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O
InChIInChI=1S/C22H28N2O3/c1-16-18(14-21(26)23(2)12-13-27-3)22-19(10-7-11-20(22)25)24(16)15-17-8-5-4-6-9-17/h4-6,8-9H,7,10-15H2,1-3H3
InChIKeyVZZCWPOKLBVOTP-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.01
Rot. Bonds7

About 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide

2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide (PubChem CID 26394326) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
PubChem CID26394326
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O
InChIInChI=1S/C22H28N2O3/c1-16-18(14-21(26)23(2)12-13-27-3)22-19(10-7-11-20(22)25)24(16)15-17-8-5-4-6-9-17/h4-6,8-9H,7,10-15H2,1-3H3
InChIKeyVZZCWPOKLBVOTP-UHFFFAOYSA-N
XLogP3.01
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide
CID 25459925
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 45173157
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 25292460
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide
CID 25377422
2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide
CID 42157239
N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide
CID 45213080
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 42150870
1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
CID 42190267
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45194016
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride
CID 154900219
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 25385572
2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methoxyethyl)acetamide
CID 42403520

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide?
The IUPAC name of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide (CID 26394326) is 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide is COCCN(C)C(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O.
What is the InChIKey of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide?
The InChIKey is VZZCWPOKLBVOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-18(14-21(26)23(2)12-13-27-3)22-19(10-7-11-20(22)25)24(16)15-17-8-5-4-6-9-17/h4-6,8-9H,7,10-15H2,1-3H3.
What are the key properties of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide?
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide has a molecular weight of 368.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide is sourced from PubChem (CID 26394326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).