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

C26H26N2O3 — CID 95081567

IUPACN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1
InChIInChI=1S/C26H26N2O3/c1-18-14-22-11-8-20(15-24(22)28(18)26(30)21-6-4-3-5-7-21)17-27-25(29)16-19-9-12-23(31-2)13-10-19/h3-13,15,18H,14,16-17H2,1-2H3,(H,27,29)/t18-/m0/s1
InChIKeyZDHLTBDGCMKZEW-SFHVURJKSA-N
MW414.51 g/mol
LogP4.15
Rot. Bonds6

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

N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 95081567) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID95081567
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1
InChIInChI=1S/C26H26N2O3/c1-18-14-22-11-8-20(15-24(22)28(18)26(30)21-6-4-3-5-7-21)17-27-25(29)16-19-9-12-23(31-2)13-10-19/h3-13,15,18H,14,16-17H2,1-2H3,(H,27,29)/t18-/m0/s1
InChIKeyZDHLTBDGCMKZEW-SFHVURJKSA-N
XLogP4.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide
CID 95081623
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95081569
N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099241
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-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 95081696
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 53099403
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea
CID 53099578
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099425
3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081738
N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide
CID 53099429
2,6-difluoro-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081709

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 95081567) is N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1.
What is the InChIKey of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is ZDHLTBDGCMKZEW-SFHVURJKSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-18-14-22-11-8-20(15-24(22)28(18)26(30)21-6-4-3-5-7-21)17-27-25(29)16-19-9-12-23(31-2)13-10-19/h3-13,15,18H,14,16-17H2,1-2H3,(H,27,29)/t18-/m0/s1.
What are the key properties of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 95081567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).