2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide

C23H21NO3 — CID 7980882

IUPAC2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
SMILESCc1ccc(C(=O)[C@@H](C)Oc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c1-16-12-14-18(15-13-16)22(25)17(2)27-21-11-7-6-10-20(21)23(26)24-19-8-4-3-5-9-19/h3-15,17H,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyHQYMICIHWUWTRS-QGZVFWFLSA-N
MW359.43 g/mol
LogP4.90
Rot. Bonds6

About 2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide

2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide (PubChem CID 7980882) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
PubChem CID7980882
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
SMILESCc1ccc(C(=O)[C@@H](C)Oc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c1-16-12-14-18(15-13-16)22(25)17(2)27-21-11-7-6-10-20(21)23(26)24-19-8-4-3-5-9-19/h3-15,17H,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyHQYMICIHWUWTRS-QGZVFWFLSA-N
XLogP4.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980902
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
N-[3-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-nitrobenzamide
CID 19645011
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
2-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 8648272
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28642699
2-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980806
2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one
CID 62034536
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515
2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide
CID 41131403
2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41176934

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The IUPAC name of 2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide (CID 7980882) is 2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide.
What is the SMILES notation for 2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The canonical SMILES for 2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide is Cc1ccc(C(=O)[C@@H](C)Oc2ccccc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The InChIKey is HQYMICIHWUWTRS-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H21NO3/c1-16-12-14-18(15-13-16)22(25)17(2)27-21-11-7-6-10-20(21)23(26)24-19-8-4-3-5-9-19/h3-15,17H,1-2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide has a molecular weight of 359.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide is sourced from PubChem (CID 7980882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).