2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide

C26H26N2O2 — CID 35129958

IUPAC2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESCc1ccc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C26H26N2O2/c1-18-12-13-21(14-19(18)2)30-17-26(29)28-15-23(20-8-4-3-5-9-20)24-16-27-25-11-7-6-10-22(24)25/h3-14,16,23,27H,15,17H2,1-2H3,(H,28,29)/t23-/m1/s1
InChIKeyUJMGFTPCWYFEMO-HSZRJFAPSA-N
MW398.51 g/mol
LogP5.11
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide

2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide (PubChem CID 35129958) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
PubChem CID35129958
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESCc1ccc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C26H26N2O2/c1-18-12-13-21(14-19(18)2)30-17-26(29)28-15-23(20-8-4-3-5-9-20)24-16-27-25-11-7-6-10-22(24)25/h3-14,16,23,27H,15,17H2,1-2H3,(H,28,29)/t23-/m1/s1
InChIKeyUJMGFTPCWYFEMO-HSZRJFAPSA-N
XLogP5.11
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 35129166
2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 17014631
2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129896
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 43842707
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 128963531
N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 35123864
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide
CID 55344788

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide (CID 35129958) is 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide is Cc1ccc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The InChIKey is UJMGFTPCWYFEMO-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-18-12-13-21(14-19(18)2)30-17-26(29)28-15-23(20-8-4-3-5-9-20)24-16-27-25-11-7-6-10-22(24)25/h3-14,16,23,27H,15,17H2,1-2H3,(H,28,29)/t23-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 35129958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).