2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide

C23H27N3O4 — CID 41010160

IUPAC2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)C[C@@]1(NC(C)=O)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H27N3O4/c1-17(27)25-23(15-21(28)24-13-8-14-30-2)19-11-6-7-12-20(19)26(22(23)29)16-18-9-4-3-5-10-18/h3-7,9-12H,8,13-16H2,1-2H3,(H,24,28)(H,25,27)/t23-/m0/s1
InChIKeyDDLDATCEFXETSW-QHCPKHFHSA-N
MW409.49 g/mol
LogP2.11
Rot. Bonds9

About 2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide

2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 41010160) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide
PubChem CID41010160
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)C[C@@]1(NC(C)=O)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H27N3O4/c1-17(27)25-23(15-21(28)24-13-8-14-30-2)19-11-6-7-12-20(19)26(22(23)29)16-18-9-4-3-5-10-18/h3-7,9-12H,8,13-16H2,1-2H3,(H,24,28)(H,25,27)/t23-/m0/s1
InChIKeyDDLDATCEFXETSW-QHCPKHFHSA-N
XLogP2.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide
CID 56871682
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-methoxyethyl)acetamide
CID 95551779
1-benzyl-3-(4-methoxyanilino)-3-(2-methylprop-2-enyl)indol-2-one
CID 46845600
2-[(3S)-1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid
CID 70146505
2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-phenylacetamide
CID 40946799
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 51837195
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 7637595
2-[1-(methoxymethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
CID 22012972
tert-butyl N-(1-benzyl-2-oxo-3-prop-2-enylindol-3-yl)carbamate
CID 102198631
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide
CID 41008155
2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide
CID 40961307

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide (CID 41010160) is 2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)C[C@@]1(NC(C)=O)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is DDLDATCEFXETSW-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-17(27)25-23(15-21(28)24-13-8-14-30-2)19-11-6-7-12-20(19)26(22(23)29)16-18-9-4-3-5-10-18/h3-7,9-12H,8,13-16H2,1-2H3,(H,24,28)(H,25,27)/t23-/m0/s1.
What are the key properties of 2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide?
2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-acetamido-1-benzyl-2-oxoindol-3-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 41010160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).