(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one

C22H21NO — CID 11056163

IUPAC(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-17(22(24)19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)23-20-15-9-4-10-16-20/h2-17,21,23H,1H3/t17-,21+/m1/s1
InChIKeyWFROBYGOEFWUAA-UTKZUKDTSA-N
MW315.42 g/mol
LogP5.36
Rot. Bonds6

About (2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one

(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one (PubChem CID 11056163) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one
PubChem CID11056163
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-17(22(24)19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)23-20-15-9-4-10-16-20/h2-17,21,23H,1H3/t17-,21+/m1/s1
InChIKeyWFROBYGOEFWUAA-UTKZUKDTSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R,3S)-3-anilino-2-methyl-3-phenylpropanoate
CID 11780569
1-anilino-2-methyl-1-phenylpentan-3-one
CID 10539778
2-anilino-1-phenylpropan-1-one
CID 577481
(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
S-ethyl 3-anilino-2-methyl-3-phenylpropanethioate
CID 10661895
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
methyl (2R,3S)-2-anilino-3-methyl-4-oxo-4-phenylbutanoate
CID 162406484
(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
2-[anilino(phenyl)methyl]-3-oxobutanoic acid
CID 57120250
N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557
(2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one
CID 73442196
methyl (2S,3S)-2-[(S)-anilino(phenyl)methyl]-3-hydroxybutanoate
CID 132509763

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one?
The IUPAC name of (2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one (CID 11056163) is (2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one.
What is the SMILES notation for (2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one?
The canonical SMILES for (2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one is C[C@@H](C(=O)c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one?
The InChIKey is WFROBYGOEFWUAA-UTKZUKDTSA-N. The full InChI is InChI=1S/C22H21NO/c1-17(22(24)19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)23-20-15-9-4-10-16-20/h2-17,21,23H,1H3/t17-,21+/m1/s1.
What are the key properties of (2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one?
(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one has a molecular weight of 315.42 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one is sourced from PubChem (CID 11056163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).