N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide

C31H29NO3 — CID 11317217

IUPACN-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](C(=O)c2ccccc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H29NO3/c1-21-9-15-25(16-10-21)30(34)32-29(28(33)24-7-5-4-6-8-24)31(35,26-17-11-22(2)12-18-26)27-19-13-23(3)14-20-27/h4-20,29,35H,1-3H3,(H,32,34)/t29-/m0/s1
InChIKeyIKSBOINWSZGFLB-LJAQVGFWSA-N
MW463.58 g/mol
LogP5.53
Rot. Bonds7

About N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide

N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide (PubChem CID 11317217) has the molecular formula C31H29NO3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
PubChem CID11317217
Molecular FormulaC31H29NO3
Molecular Weight463.58 g/mol
Exact Mass463.21
IUPAC NameN-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](C(=O)c2ccccc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H29NO3/c1-21-9-15-25(16-10-21)30(34)32-29(28(33)24-7-5-4-6-8-24)31(35,26-17-11-22(2)12-18-26)27-19-13-23(3)14-20-27/h4-20,29,35H,1-3H3,(H,32,34)/t29-/m0/s1
InChIKeyIKSBOINWSZGFLB-LJAQVGFWSA-N
XLogP5.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985
N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
CID 27349912
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide
CID 2305846
benzoic acid;4-methylbenzoic acid
CID 71272637
N,4-dimethylbenzamide;ethane;toluene
CID 143677670
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
4-methyl-N-[(1R)-2,2,2-trichloro-1-(dimethylamino)ethyl]benzamide
CID 904082

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide (CID 11317217) is N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H](C(=O)c2ccccc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide?
The InChIKey is IKSBOINWSZGFLB-LJAQVGFWSA-N. The full InChI is InChI=1S/C31H29NO3/c1-21-9-15-25(16-10-21)30(34)32-29(28(33)24-7-5-4-6-8-24)31(35,26-17-11-22(2)12-18-26)27-19-13-23(3)14-20-27/h4-20,29,35H,1-3H3,(H,32,34)/t29-/m0/s1.
What are the key properties of N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide?
N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide has a molecular weight of 463.58 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 11317217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).