2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide

C28H24N2O3 — CID 41131403

IUPAC2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide
SMILESC[C@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C28H24N2O3/c1-20(27(31)30-25-18-10-8-16-23(25)21-12-4-2-5-13-21)33-26-19-11-9-17-24(26)28(32)29-22-14-6-3-7-15-22/h2-20H,1H3,(H,29,32)(H,30,31)/t20-/m0/s1
InChIKeyNOXTTYUUUAYSDK-FQEVSTJZSA-N
MW436.51 g/mol
LogP6.01
Rot. Bonds7

About 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide

2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide (PubChem CID 41131403) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide
PubChem CID41131403
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide
SMILESC[C@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C28H24N2O3/c1-20(27(31)30-25-18-10-8-16-23(25)21-12-4-2-5-13-21)33-26-19-11-9-17-24(26)28(32)29-22-14-6-3-7-15-22/h2-20H,1H3,(H,29,32)(H,30,31)/t20-/m0/s1
InChIKeyNOXTTYUUUAYSDK-FQEVSTJZSA-N
XLogP6.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7762821
2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980902
2-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980806
2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
CID 4943701
(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide
CID 40866622
2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41176934
N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4942074
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)propanamide
CID 133162179
2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980882
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide?
The IUPAC name of 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide (CID 41131403) is 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide.
What is the SMILES notation for 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide?
The canonical SMILES for 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide is C[C@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide?
The InChIKey is NOXTTYUUUAYSDK-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-20(27(31)30-25-18-10-8-16-23(25)21-12-4-2-5-13-21)33-26-19-11-9-17-24(26)28(32)29-22-14-6-3-7-15-22/h2-20H,1H3,(H,29,32)(H,30,31)/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide?
2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide has a molecular weight of 436.51 g/mol, XLogP of 6.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide is sourced from PubChem (CID 41131403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).