N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide

C23H27NO3 — CID 41402308

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1cccc2c1CCC2=O
InChIInChI=1S/C23H27NO3/c1-14(2)16-7-5-8-17(15(3)4)23(16)24-22(26)13-27-21-10-6-9-18-19(21)11-12-20(18)25/h5-10,14-15H,11-13H2,1-4H3,(H,24,26)
InChIKeyOZVXRDRYKXYPBT-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.08
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide (PubChem CID 41402308) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
PubChem CID41402308
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1cccc2c1CCC2=O
InChIInChI=1S/C23H27NO3/c1-14(2)16-7-5-8-17(15(3)4)23(16)24-22(26)13-27-21-10-6-9-18-19(21)11-12-20(18)25/h5-10,14-15H,11-13H2,1-4H3,(H,24,26)
InChIKeyOZVXRDRYKXYPBT-UHFFFAOYSA-N
XLogP5.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402265
N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 7762730
N-[1-(4-fluorophenyl)ethyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 134010739
2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]-N-(4-phenoxyphenyl)acetamide
CID 41402254
N-(2-fluoro-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 24578842
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088271
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide
CID 8008131
N-cyclohexyl-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402250
N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
CID 65454442
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 78902741
N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981
2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 727454

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide (CID 41402308) is N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)COc1cccc2c1CCC2=O.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
The InChIKey is OZVXRDRYKXYPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-14(2)16-7-5-8-17(15(3)4)23(16)24-22(26)13-27-21-10-6-9-18-19(21)11-12-20(18)25/h5-10,14-15H,11-13H2,1-4H3,(H,24,26).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide has a molecular weight of 365.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide is sourced from PubChem (CID 41402308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).