3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide

C24H30N2O3 — CID 95502531

IUPAC3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide
SMILESCOCC(C)(C)NC(=O)CC[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C24H30N2O3/c1-23(2,17-29-4)25-21(27)14-15-24(16-18-10-6-5-7-11-18)19-12-8-9-13-20(19)26(3)22(24)28/h5-13H,14-17H2,1-4H3,(H,25,27)/t24-/m0/s1
InChIKeyLAUGSOFJSSMQSH-DEOSSOPVSA-N
MW394.52 g/mol
LogP3.46
Rot. Bonds8

About 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide

3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide (PubChem CID 95502531) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide
PubChem CID95502531
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide
SMILESCOCC(C)(C)NC(=O)CC[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C24H30N2O3/c1-23(2,17-29-4)25-21(27)14-15-24(16-18-10-6-5-7-11-18)19-12-8-9-13-20(19)26(3)22(24)28/h5-13H,14-17H2,1-4H3,(H,25,27)/t24-/m0/s1
InChIKeyLAUGSOFJSSMQSH-DEOSSOPVSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide
CID 56861665
methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate
CID 56871088
2-[3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]propanoylamino]acetic acid
CID 95563683
3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide
CID 95563592
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-butylpropanamide
CID 56862260
3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(1-ethylcyclopropyl)propanamide
CID 56878244
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-(2-methoxy-2-methylpropyl)acetamide
CID 56861384
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-methoxyethyl)acetamide
CID 95551779
2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide
CID 95543110
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide (CID 95502531) is 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide is COCC(C)(C)NC(=O)CC[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide?
The InChIKey is LAUGSOFJSSMQSH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-23(2,17-29-4)25-21(27)14-15-24(16-18-10-6-5-7-11-18)19-12-8-9-13-20(19)26(3)22(24)28/h5-13H,14-17H2,1-4H3,(H,25,27)/t24-/m0/s1.
What are the key properties of 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide?
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 95502531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).