(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide

C23H23NO3 — CID 28573798

IUPAC(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H23NO3/c1-3-21(27-19-13-9-10-17(2)16-19)23(25)24-20-14-7-8-15-22(20)26-18-11-5-4-6-12-18/h4-16,21H,3H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyVWWXMADHFHOVDZ-OAQYLSRUSA-N
MW361.44 g/mol
LogP5.58
Rot. Bonds7

About (2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide

(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide (PubChem CID 28573798) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
PubChem CID28573798
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H23NO3/c1-3-21(27-19-13-9-10-17(2)16-19)23(25)24-20-14-7-8-15-22(20)26-18-11-5-4-6-12-18/h4-16,21H,3H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyVWWXMADHFHOVDZ-OAQYLSRUSA-N
XLogP5.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 21173380
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 41177788
2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
CID 4928355
N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133200251
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
(2R)-N-(2,4-dimethoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 93487599
ethyl 2-[[(2S)-2-(3-methylphenoxy)butanoyl]amino]benzoate
CID 92676557
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013387
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide?
The IUPAC name of (2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide (CID 28573798) is (2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide.
What is the SMILES notation for (2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide?
The canonical SMILES for (2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide is CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of (2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide?
The InChIKey is VWWXMADHFHOVDZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23NO3/c1-3-21(27-19-13-9-10-17(2)16-19)23(25)24-20-14-7-8-15-22(20)26-18-11-5-4-6-12-18/h4-16,21H,3H2,1-2H3,(H,24,25)/t21-/m1/s1.
What are the key properties of (2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide?
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide has a molecular weight of 361.44 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide is sourced from PubChem (CID 28573798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).