2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide

C21H24N2O2 — CID 102422036

IUPAC2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCC[C@]1(CC(=O)N[C@H](C)c2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-4-21(17-12-8-9-13-18(17)23(3)20(21)25)14-19(24)22-15(2)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,22,24)/t15-,21-/m1/s1
InChIKeyIQMHDMBXWKCASU-QVKFZJNVSA-N
MW336.44 g/mol
LogP3.58
Rot. Bonds5

About 2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 102422036) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID102422036
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCC[C@]1(CC(=O)N[C@H](C)c2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-4-21(17-12-8-9-13-18(17)23(3)20(21)25)14-19(24)22-15(2)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,22,24)/t15-,21-/m1/s1
InChIKeyIQMHDMBXWKCASU-QVKFZJNVSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 132528728
2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 92681437
2-[(3S)-1,3-dimethyl-2-oxoindol-3-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 132528720
3-(hydroxymethyl)-1-methyl-3-(3-oxobutyl)indol-2-one
CID 132567366
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 95532207
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 95555980
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 56861384
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95553473
2-[3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]propanoylamino]acetic acid
CID 95563683
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate
CID 7321191

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 102422036) is 2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide is CC[C@]1(CC(=O)N[C@H](C)c2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of 2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is IQMHDMBXWKCASU-QVKFZJNVSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-21(17-12-8-9-13-18(17)23(3)20(21)25)14-19(24)22-15(2)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,22,24)/t15-,21-/m1/s1.
What are the key properties of 2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 102422036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).