1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide

C23H26N2O6 — CID 20697348

IUPAC1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide
SMILESCOc1cc(C(=O)C(=O)N2c3ccccc3CC2C(=O)NC(C)C)cc(OC)c1OC
InChIInChI=1S/C23H26N2O6/c1-13(2)24-22(27)17-10-14-8-6-7-9-16(14)25(17)23(28)20(26)15-11-18(29-3)21(31-5)19(12-15)30-4/h6-9,11-13,17H,10H2,1-5H3,(H,24,27)
InChIKeyDIVHXIREYYUZJS-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.38
Rot. Bonds7

About 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide

1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide (PubChem CID 20697348) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide
PubChem CID20697348
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide
SMILESCOc1cc(C(=O)C(=O)N2c3ccccc3CC2C(=O)NC(C)C)cc(OC)c1OC
InChIInChI=1S/C23H26N2O6/c1-13(2)24-22(27)17-10-14-8-6-7-9-16(14)25(17)23(28)20(26)15-11-18(29-3)21(31-5)19(12-15)30-4/h6-9,11-13,17H,10H2,1-5H3,(H,24,27)
InChIKeyDIVHXIREYYUZJS-UHFFFAOYSA-N
XLogP2.38
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428756
N-propan-2-yl-1-(3,4,5-trimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 20692693
1-N-(2,3-dimethoxyphenyl)-2-N-ethyl-2,3-dihydroindole-1,2-dicarboxamide
CID 18588077
(1S,3S)-1-benzyl-N-(1,7-diphenylheptan-4-yl)-2-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 59966310
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954315
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 7681204
ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate
CID 11727048
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 29405685
2-[2-(3,5-dimethoxy-4-methylphenyl)-2-oxoacetyl]-N-(1,7-diphenylheptan-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 20697323
(3S,4R)-1-benzoyl-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149858
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 7795058

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide (CID 20697348) is 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide is COc1cc(C(=O)C(=O)N2c3ccccc3CC2C(=O)NC(C)C)cc(OC)c1OC.
What is the InChIKey of 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide?
The InChIKey is DIVHXIREYYUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-13(2)24-22(27)17-10-14-8-6-7-9-16(14)25(17)23(28)20(26)15-11-18(29-3)21(31-5)19(12-15)30-4/h6-9,11-13,17H,10H2,1-5H3,(H,24,27).
What are the key properties of 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide?
1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20697348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).