N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide

C26H26N2O3 — CID 9451408

IUPACN-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(C[C@@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H26N2O3/c1-30-21-11-7-18(8-12-21)15-25(19-9-13-22(31-2)14-10-19)28-26(29)16-20-17-27-24-6-4-3-5-23(20)24/h3-14,17,25,27H,15-16H2,1-2H3,(H,28,29)/t25-/m1/s1
InChIKeyDUHPROXAQCUGKE-RUZDIDTESA-N
MW414.51 g/mol
LogP4.83
Rot. Bonds8

About N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide

N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 9451408) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID9451408
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(C[C@@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H26N2O3/c1-30-21-11-7-18(8-12-21)15-25(19-9-13-22(31-2)14-10-19)28-26(29)16-20-17-27-24-6-4-3-5-23(20)24/h3-14,17,25,27H,15-16H2,1-2H3,(H,28,29)/t25-/m1/s1
InChIKeyDUHPROXAQCUGKE-RUZDIDTESA-N
XLogP4.83
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
CID 9442039
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
CID 53306565
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 40855593
N-[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 143753176
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 119956362
ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55876805
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
N-[1-[5-[1-amino-2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-phenylethyl]acetamide
CID 77460849
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46820318
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 95308809

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide (CID 9451408) is N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide is COc1ccc(C[C@@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is DUHPROXAQCUGKE-RUZDIDTESA-N. The full InChI is InChI=1S/C26H26N2O3/c1-30-21-11-7-18(8-12-21)15-25(19-9-13-22(31-2)14-10-19)28-26(29)16-20-17-27-24-6-4-3-5-23(20)24/h3-14,17,25,27H,15-16H2,1-2H3,(H,28,29)/t25-/m1/s1.
What are the key properties of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 9451408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).