N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

C26H24N2O4 — CID 3447883

IUPACN-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C=C(NC(=O)c1ccccc1OC)C(=O)N1CCc2ccccc21
InChIInChI=1S/C26H24N2O4/c1-31-23-13-7-4-10-19(23)17-21(27-25(29)20-11-5-8-14-24(20)32-2)26(30)28-16-15-18-9-3-6-12-22(18)28/h3-14,17H,15-16H2,1-2H3,(H,27,29)
InChIKeyMHWNQFNNLSUIGA-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.06
Rot. Bonds6

About N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide (PubChem CID 3447883) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
PubChem CID3447883
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C=C(NC(=O)c1ccccc1OC)C(=O)N1CCc2ccccc21
InChIInChI=1S/C26H24N2O4/c1-31-23-13-7-4-10-19(23)17-21(27-25(29)20-11-5-8-14-24(20)32-2)26(30)28-16-15-18-9-3-6-12-22(18)28/h3-14,17H,15-16H2,1-2H3,(H,27,29)
InChIKeyMHWNQFNNLSUIGA-UHFFFAOYSA-N
XLogP4.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
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CID 3986882
2-methoxy-N-[(E)-3-(4-methoxyanilino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
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(E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid
CID 881673
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530711
N-[1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridine-4-carboxamide
CID 91023383
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 3481190
N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6959314
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 24791588
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 46262149

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide (CID 3447883) is N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide is COc1ccccc1C=C(NC(=O)c1ccccc1OC)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The InChIKey is MHWNQFNNLSUIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-31-23-13-7-4-10-19(23)17-21(27-25(29)20-11-5-8-14-24(20)32-2)26(30)28-16-15-18-9-3-6-12-22(18)28/h3-14,17H,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide has a molecular weight of 428.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 3447883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).