N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide

C25H24N2O3 — CID 9253126

IUPACN-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H24N2O3/c1-18-14-20-10-5-6-13-23(20)27(18)24(28)17-30-22-12-7-11-21(15-22)25(29)26-16-19-8-3-2-4-9-19/h2-13,15,18H,14,16-17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyZPXVKMGWQQIIKR-GOSISDBHSA-N
MW400.48 g/mol
LogP3.97
Rot. Bonds6

About N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide

N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide (PubChem CID 9253126) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide
PubChem CID9253126
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H24N2O3/c1-18-14-20-10-5-6-13-23(20)27(18)24(28)17-30-22-12-7-11-21(15-22)25(29)26-16-19-8-3-2-4-9-19/h2-13,15,18H,14,16-17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyZPXVKMGWQQIIKR-GOSISDBHSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide (CID 9253126) is N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide is C[C@@H]1Cc2ccccc2N1C(=O)COc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is ZPXVKMGWQQIIKR-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-18-14-20-10-5-6-13-23(20)27(18)24(28)17-30-22-12-7-11-21(15-22)25(29)26-16-19-8-3-2-4-9-19/h2-13,15,18H,14,16-17H2,1H3,(H,26,29)/t18-/m1/s1.
What are the key properties of N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide?
N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 400.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 9253126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).