(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C26H27NO3 — CID 100679238

IUPAC(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C26H27NO3/c1-17(2)21-15-14-18(3)16-24(21)30-19(4)26(29)27-23-13-9-8-12-22(23)25(28)20-10-6-5-7-11-20/h5-17,19H,1-4H3,(H,27,29)/t19-/m1/s1
InChIKeyHIXSVWOAINQLNA-LJQANCHMSA-N
MW401.51 g/mol
LogP5.76
Rot. Bonds7

About (2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 100679238) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is (2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID100679238
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C26H27NO3/c1-17(2)21-15-14-18(3)16-24(21)30-19(4)26(29)27-23-13-9-8-12-22(23)25(28)20-10-6-5-7-11-20/h5-17,19H,1-4H3,(H,27,29)/t19-/m1/s1
InChIKeyHIXSVWOAINQLNA-LJQANCHMSA-N
XLogP5.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)propanamide
CID 133162179
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
methyl 2-hydroxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]benzoate
CID 56576066
(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
CID 617254
N-(2-benzoylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 132656400
(2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100746908
N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 53266932
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201946
N-(2,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219467
N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
CID 4829157
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
N-(2,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 112778600

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 100679238) is (2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1.
What is the InChIKey of (2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is HIXSVWOAINQLNA-LJQANCHMSA-N. The full InChI is InChI=1S/C26H27NO3/c1-17(2)21-15-14-18(3)16-24(21)30-19(4)26(29)27-23-13-9-8-12-22(23)25(28)20-10-6-5-7-11-20/h5-17,19H,1-4H3,(H,27,29)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 401.51 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 100679238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).