N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide

C21H26N2O2 — CID 42457455

IUPACN,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide
SMILESCc1c(CC(=O)N(C)C)c2c(n1CCc1ccccc1)CCCC2=O
InChIInChI=1S/C21H26N2O2/c1-15-17(14-20(25)22(2)3)21-18(10-7-11-19(21)24)23(15)13-12-16-8-5-4-6-9-16/h4-6,8-9H,7,10-14H2,1-3H3
InChIKeyXVQPQNIDNSZLNV-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.19
Rot. Bonds5

About N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide

N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide (PubChem CID 42457455) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide
PubChem CID42457455
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide
SMILESCc1c(CC(=O)N(C)C)c2c(n1CCc1ccccc1)CCCC2=O
InChIInChI=1S/C21H26N2O2/c1-15-17(14-20(25)22(2)3)21-18(10-7-11-19(21)24)23(15)13-12-16-8-5-4-6-9-16/h4-6,8-9H,7,10-14H2,1-3H3
InChIKeyXVQPQNIDNSZLNV-UHFFFAOYSA-N
XLogP3.19
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide with MolForge

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Related Compounds

2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide
CID 72899564
3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one
CID 25460872
2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide
CID 42157239
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 26394326
2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 26394887
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
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-prop-2-enylacetamide
CID 25377422
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 42150870
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide (CID 42457455) is N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide is Cc1c(CC(=O)N(C)C)c2c(n1CCc1ccccc1)CCCC2=O.
What is the InChIKey of N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide?
The InChIKey is XVQPQNIDNSZLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-17(14-20(25)22(2)3)21-18(10-7-11-19(21)24)23(15)13-12-16-8-5-4-6-9-16/h4-6,8-9H,7,10-14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide?
N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide is sourced from PubChem (CID 42457455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).