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

C20H24N2O2 — CID 72899564

IUPAC2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide
SMILESCc1c(CC(N)=O)c2c(n1CCCc1ccccc1)CCCC2=O
InChIInChI=1S/C20H24N2O2/c1-14-16(13-19(21)24)20-17(10-5-11-18(20)23)22(14)12-6-9-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H2,21,24)
InChIKeyKFLUCLASXVXXQT-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.98
Rot. Bonds6

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

2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide (PubChem CID 72899564) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide
PubChem CID72899564
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide
SMILESCc1c(CC(N)=O)c2c(n1CCCc1ccccc1)CCCC2=O
InChIInChI=1S/C20H24N2O2/c1-14-16(13-19(21)24)20-17(10-5-11-18(20)23)22(14)12-6-9-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H2,21,24)
InChIKeyKFLUCLASXVXXQT-UHFFFAOYSA-N
XLogP2.98
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide
CID 42457455
N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide
CID 45213080
3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one
CID 25460872
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
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-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
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 25385572
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 26394326
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 25292460
1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
CID 42190267

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide?
The IUPAC name of 2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide (CID 72899564) is 2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide.
What is the SMILES notation for 2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide?
The canonical SMILES for 2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide is Cc1c(CC(N)=O)c2c(n1CCCc1ccccc1)CCCC2=O.
What is the InChIKey of 2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide?
The InChIKey is KFLUCLASXVXXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-16(13-19(21)24)20-17(10-5-11-18(20)23)22(14)12-6-9-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H2,21,24).
What are the key properties of 2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide?
2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide has a molecular weight of 324.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide is sourced from PubChem (CID 72899564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).