(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide

C22H23NO2 — CID 28575311

IUPAC(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H23NO2/c1-3-21(22(24)23-15-17-10-8-16(2)9-11-17)25-20-13-12-18-6-4-5-7-19(18)14-20/h4-14,21H,3,15H2,1-2H3,(H,23,24)/t21-/m1/s1
InChIKeyAEHZFTMZXFMLTO-OAQYLSRUSA-N
MW333.43 g/mol
LogP4.62
Rot. Bonds6

About (2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide

(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 28575311) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
PubChem CID28575311
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H23NO2/c1-3-21(22(24)23-15-17-10-8-16(2)9-11-17)25-20-13-12-18-6-4-5-7-19(18)14-20/h4-14,21H,3,15H2,1-2H3,(H,23,24)/t21-/m1/s1
InChIKeyAEHZFTMZXFMLTO-OAQYLSRUSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide (CID 28575311) is (2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide is CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of (2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is AEHZFTMZXFMLTO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-21(22(24)23-15-17-10-8-16(2)9-11-17)25-20-13-12-18-6-4-5-7-19(18)14-20/h4-14,21H,3,15H2,1-2H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 333.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 28575311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).