N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide

C26H26N2O4 — CID 53099241

IUPACN-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)cc1
InChIInChI=1S/C26H26N2O4/c1-18-14-21-9-8-19(15-24(21)28(18)26(30)20-6-4-3-5-7-20)16-27-25(29)17-32-23-12-10-22(31-2)11-13-23/h3-13,15,18H,14,16-17H2,1-2H3,(H,27,29)
InChIKeyZIURMKPTAHDDET-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.98
Rot. Bonds7

About N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide

N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 53099241) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID53099241
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)cc1
InChIInChI=1S/C26H26N2O4/c1-18-14-21-9-8-19(15-24(21)28(18)26(30)20-6-4-3-5-7-20)16-27-25(29)17-32-23-12-10-22(31-2)11-13-23/h3-13,15,18H,14,16-17H2,1-2H3,(H,27,29)
InChIKeyZIURMKPTAHDDET-UHFFFAOYSA-N
XLogP3.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099425
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 95081567
2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
CID 95081704
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95081569
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 53099403
N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 95081696
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea
CID 53099578
2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099410
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 95081667
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide
CID 95081623
1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2,5-dimethoxyphenyl)urea
CID 95081799
3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081738

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide (CID 53099241) is N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)cc1.
What is the InChIKey of N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is ZIURMKPTAHDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-18-14-21-9-8-19(15-24(21)28(18)26(30)20-6-4-3-5-7-20)16-27-25(29)17-32-23-12-10-22(31-2)11-13-23/h3-13,15,18H,14,16-17H2,1-2H3,(H,27,29).
What are the key properties of N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 430.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 53099241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).