2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide

C22H26N2O3 — CID 56871682

IUPAC2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CC1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-24-19-12-7-6-11-18(19)22(21(24)26,15-17-9-4-3-5-10-17)16-20(25)23-13-8-14-27-2/h3-7,9-12H,8,13-16H2,1-2H3,(H,23,25)
InChIKeyWJQFXEVYMIUSSK-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.69
Rot. Bonds8

About 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide

2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 56871682) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide
PubChem CID56871682
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CC1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-24-19-12-7-6-11-18(19)22(21(24)26,15-17-9-4-3-5-10-17)16-20(25)23-13-8-14-27-2/h3-7,9-12H,8,13-16H2,1-2H3,(H,23,25)
InChIKeyWJQFXEVYMIUSSK-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-methoxyethyl)acetamide
CID 95551779
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 56861384
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 95555980
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide
CID 56862260
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 95563231
3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide
CID 95563592
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 95555829
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 56873886
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95553473
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 95562977

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide (CID 56871682) is 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CC1(Cc2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is WJQFXEVYMIUSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-24-19-12-7-6-11-18(19)22(21(24)26,15-17-9-4-3-5-10-17)16-20(25)23-13-8-14-27-2/h3-7,9-12H,8,13-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide?
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 366.46 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 56871682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).