4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide

C24H23NO3 — CID 19645089

IUPAC4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
SMILESCCC(Oc1cccc(NC(=O)c2ccc(C)cc2)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-3-22(23(26)18-8-5-4-6-9-18)28-21-11-7-10-20(16-21)25-24(27)19-14-12-17(2)13-15-19/h4-16,22H,3H2,1-2H3,(H,25,27)
InChIKeyPOCYVEVQZKPQLG-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.29
Rot. Bonds7

About 4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide

4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide (PubChem CID 19645089) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
PubChem CID19645089
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
SMILESCCC(Oc1cccc(NC(=O)c2ccc(C)cc2)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-3-22(23(26)18-8-5-4-6-9-18)28-21-11-7-10-20(16-21)25-24(27)19-14-12-17(2)13-15-19/h4-16,22H,3H2,1-2H3,(H,25,27)
InChIKeyPOCYVEVQZKPQLG-UHFFFAOYSA-N
XLogP5.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide
CID 19645114
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
CID 19645092
4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17232344
N-[3-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 977194
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878204
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide (CID 19645089) is 4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide is CCC(Oc1cccc(NC(=O)c2ccc(C)cc2)c1)C(=O)c1ccccc1.
What is the InChIKey of 4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide?
The InChIKey is POCYVEVQZKPQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-3-22(23(26)18-8-5-4-6-9-18)28-21-11-7-10-20(16-21)25-24(27)19-14-12-17(2)13-15-19/h4-16,22H,3H2,1-2H3,(H,25,27).
What are the key properties of 4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide?
4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide has a molecular weight of 373.45 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide is sourced from PubChem (CID 19645089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).