methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate

C22H24N2O4 — CID 95524846

IUPACmethyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-23(15-20(26)28-3)19(25)14-22(13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)24(2)21(22)27/h4-12H,13-15H2,1-3H3/t22-/m0/s1
InChIKeyIXLMZHZXQNXUQQ-QFIPXVFZSA-N
MW380.44 g/mol
LogP2.16
Rot. Bonds6

About methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate

methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate (PubChem CID 95524846) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate
PubChem CID95524846
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-23(15-20(26)28-3)19(25)14-22(13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)24(2)21(22)27/h4-12H,13-15H2,1-3H3/t22-/m0/s1
InChIKeyIXLMZHZXQNXUQQ-QFIPXVFZSA-N
XLogP2.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate with MolForge

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Related Compounds

2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 95563639
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 95402100
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide
CID 95545230
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide
CID 95486259
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(furan-3-ylmethyl)-N-methylacetamide
CID 95554829
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[1-(methoxymethyl)cyclopropyl]-N-methylacetamide
CID 56879470
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-methoxyethyl)acetamide
CID 95551779
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide
CID 95554037
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide
CID 56871682

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate (CID 95524846) is methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate?
The InChIKey is IXLMZHZXQNXUQQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-23(15-20(26)28-3)19(25)14-22(13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)24(2)21(22)27/h4-12H,13-15H2,1-3H3/t22-/m0/s1.
What are the key properties of methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate?
methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate has a molecular weight of 380.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate is sourced from PubChem (CID 95524846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).