N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide

C23H28N2O3 — CID 9178434

IUPACN-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCOc2ccc(C(C)(C)C)cc2)c2ccc(C)cc21
InChIInChI=1S/C23H28N2O3/c1-15-6-11-20-19(14-15)21(24-16(2)26)22(27)25(20)12-13-28-18-9-7-17(8-10-18)23(3,4)5/h6-11,14,21H,12-13H2,1-5H3,(H,24,26)/t21-/m1/s1
InChIKeyNWZMAQLZLHTIMP-OAQYLSRUSA-N
MW380.49 g/mol
LogP3.90
Rot. Bonds5

About N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178434) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178434
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCOc2ccc(C(C)(C)C)cc2)c2ccc(C)cc21
InChIInChI=1S/C23H28N2O3/c1-15-6-11-20-19(14-15)21(24-16(2)26)22(27)25(20)12-13-28-18-9-7-17(8-10-18)23(3,4)5/h6-11,14,21H,12-13H2,1-5H3,(H,24,26)/t21-/m1/s1
InChIKeyNWZMAQLZLHTIMP-OAQYLSRUSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178957
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178440
N-[(3R)-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178364
N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178993
N-[(3S)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942909
N-[(3S)-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178779
N-[(3R)-5,7-dimethyl-2-oxo-1-(2-phenoxyethyl)-3H-indol-3-yl]acetamide
CID 9178750
N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447214
N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178903
N-[(3R)-1-[(2-ethoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178396
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178998

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178434) is N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@H]1C(=O)N(CCOc2ccc(C(C)(C)C)cc2)c2ccc(C)cc21.
What is the InChIKey of N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is NWZMAQLZLHTIMP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15-6-11-20-19(14-15)21(24-16(2)26)22(27)25(20)12-13-28-18-9-7-17(8-10-18)23(3,4)5/h6-11,14,21H,12-13H2,1-5H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).