4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

C28H27N3O3 — CID 53010729

IUPAC4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4ccc5c(c4)CCN5C(C)=O)cc3)c2c1
InChIInChI=1S/C28H27N3O3/c1-18(32)31-14-12-22-15-21(7-10-27(22)31)19-3-5-20(6-4-19)28(33)29-13-11-23-17-30-26-9-8-24(34-2)16-25(23)26/h3-10,15-17,30H,11-14H2,1-2H3,(H,29,33)
InChIKeyJEWLTFIXBJENDT-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.72
Rot. Bonds6

About 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide (PubChem CID 53010729) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
PubChem CID53010729
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4ccc5c(c4)CCN5C(C)=O)cc3)c2c1
InChIInChI=1S/C28H27N3O3/c1-18(32)31-14-12-22-15-21(7-10-27(22)31)19-3-5-20(6-4-19)28(33)29-13-11-23-17-30-26-9-8-24(34-2)16-25(23)26/h3-10,15-17,30H,11-14H2,1-2H3,(H,29,33)
InChIKeyJEWLTFIXBJENDT-UHFFFAOYSA-N
XLogP4.72
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75491978
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
CID 110201072
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
CID 129111079
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71755173
1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915976
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide (CID 53010729) is 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide is COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4ccc5c(c4)CCN5C(C)=O)cc3)c2c1.
What is the InChIKey of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is JEWLTFIXBJENDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-18(32)31-14-12-22-15-21(7-10-27(22)31)19-3-5-20(6-4-19)28(33)29-13-11-23-17-30-26-9-8-24(34-2)16-25(23)26/h3-10,15-17,30H,11-14H2,1-2H3,(H,29,33).
What are the key properties of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 453.54 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 53010729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).