3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide

C23H28N2O2 — CID 56862260

IUPAC3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide
SMILESCCCCNC(=O)CCC1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C23H28N2O2/c1-3-4-16-24-21(26)14-15-23(17-18-10-6-5-7-11-18)19-12-8-9-13-20(19)25(2)22(23)27/h5-13H,3-4,14-17H2,1-2H3,(H,24,26)
InChIKeyABAHCNPMRITNSK-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.84
Rot. Bonds8

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

3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide (PubChem CID 56862260) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide.

Molecular Properties

Compound Name3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide
PubChem CID56862260
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide
SMILESCCCCNC(=O)CCC1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C23H28N2O2/c1-3-4-16-24-21(26)14-15-23(17-18-10-6-5-7-11-18)19-12-8-9-13-20(19)25(2)22(23)27/h5-13H,3-4,14-17H2,1-2H3,(H,24,26)
InChIKeyABAHCNPMRITNSK-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide
CID 95563592
2-[3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]propanoylamino]acetic acid
CID 95563683
methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate
CID 56871088
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 95558736
3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(1-ethylcyclopropyl)propanamide
CID 56878244
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide
CID 56871682
2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide
CID 56861665
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide
CID 95554037
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-[(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-(2-pyridin-3-ylethyl)acetamide
CID 95563231

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide?
The IUPAC name of 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide (CID 56862260) is 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide.
What is the SMILES notation for 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide?
The canonical SMILES for 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide is CCCCNC(=O)CCC1(Cc2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide?
The InChIKey is ABAHCNPMRITNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-4-16-24-21(26)14-15-23(17-18-10-6-5-7-11-18)19-12-8-9-13-20(19)25(2)22(23)27/h5-13H,3-4,14-17H2,1-2H3,(H,24,26).
What are the key properties of 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide?
3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide has a molecular weight of 364.49 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide is sourced from PubChem (CID 56862260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).