2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide

C21H28N2O2 — CID 162397249

IUPAC2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@]1(CC=C(C)C)C(=O)N(CC=C(C)C)c2ccccc21
InChIInChI=1S/C21H28N2O2/c1-15(2)10-12-21(14-19(24)22-5)17-8-6-7-9-18(17)23(20(21)25)13-11-16(3)4/h6-11H,12-14H2,1-5H3,(H,22,24)/t21-/m0/s1
InChIKeyWXMIGHZYRSBSJL-NRFANRHFSA-N
MW340.47 g/mol
LogP3.73
Rot. Bonds6

About 2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide

2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide (PubChem CID 162397249) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide
PubChem CID162397249
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@]1(CC=C(C)C)C(=O)N(CC=C(C)C)c2ccccc21
InChIInChI=1S/C21H28N2O2/c1-15(2)10-12-21(14-19(24)22-5)17-8-6-7-9-18(17)23(20(21)25)13-11-16(3)4/h6-11H,12-14H2,1-5H3,(H,22,24)/t21-/m0/s1
InChIKeyWXMIGHZYRSBSJL-NRFANRHFSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]acetonitrile
CID 11243776
2-[(3S)-1-benzyl-5-methoxy-3-(3-methylbut-2-enyl)-2-oxoindol-3-yl]acetic acid
CID 10643437
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one
CID 132512055
(9S)-1'-(3-methylbut-2-enyl)-5,5-dioxospiro[8H-pyrido[1,2-b][1,2]benzothiazole-9,3'-indole]-2',7-dione
CID 138964315
tert-butyl (3S)-3-[2-(methylamino)-2-oxoethyl]-2-oxo-3-phenylindole-1-carboxylate
CID 102584446
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide
CID 11402284
3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
CID 177313716
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
5-benzyl-1,3-dimethyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
CID 102590418
1-acetyl-3,3-diethylindol-2-one
CID 59379162

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide (CID 162397249) is 2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide is CNC(=O)C[C@]1(CC=C(C)C)C(=O)N(CC=C(C)C)c2ccccc21.
What is the InChIKey of 2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide?
The InChIKey is WXMIGHZYRSBSJL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15(2)10-12-21(14-19(24)22-5)17-8-6-7-9-18(17)23(20(21)25)13-11-16(3)4/h6-11H,12-14H2,1-5H3,(H,22,24)/t21-/m0/s1.
What are the key properties of 2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide?
2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide has a molecular weight of 340.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,3-bis(3-methylbut-2-enyl)-2-oxoindol-3-yl]-N-methylacetamide is sourced from PubChem (CID 162397249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).