2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone

C24H25NO2 — CID 110176563

IUPAC2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone
SMILESCC(CNCC(=O)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2/c1-19(17-25-18-23(26)20-11-5-2-6-12-20)24(27,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,25,27H,17-18H2,1H3
InChIKeyMXHJRKLAMBXYCW-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.03
Rot. Bonds8

About 2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone

2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone (PubChem CID 110176563) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone
PubChem CID110176563
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone
SMILESCC(CNCC(=O)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2/c1-19(17-25-18-23(26)20-11-5-2-6-12-20)24(27,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,25,27H,17-18H2,1H3
InChIKeyMXHJRKLAMBXYCW-UHFFFAOYSA-N
XLogP4.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzoyl-4-hydroxy-1-methyl-4-phenylpiperidine
CID 20784
4-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-propylphenyl)butan-1-one
CID 11641076
(1-Ethyl-4-hydroxy-4-phenyl-piperidin-3-yl)-phenyl-methanone
CID 370028
(1-Butyl-4-hydroxy-4-phenylpiperidin-3-yl)(phenyl)methanone
CID 2827007
4-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-1-p-tolylbutan-1-one
CID 15230929
1-(4-Ethylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one
CID 21528597
4-(4-Hydroxy-4-phenyl-1-piperidinyl)-1-phenyl-1-butanone
CID 23424166
1-(4-Butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one
CID 44411202
((3R,4S)-4-Hydroxy-1-methyl-4-phenyl-piperidin-3-yl)-phenyl-methanone
CID 708981
((3R,4S)-1-Ethyl-4-hydroxy-4-phenyl-piperidin-3-yl)-phenyl-methanone
CID 7430452
1-Cyclohexyl-3-[2-(dimethylamino)ethylamino]-1-hydroxy-1-phenylpropan-2-one
CID 10381235
1-(4-Allylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one
CID 11612187

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone?
The IUPAC name of 2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone (CID 110176563) is 2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone.
What is the SMILES notation for 2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone?
The canonical SMILES for 2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone is CC(CNCC(=O)c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone?
The InChIKey is MXHJRKLAMBXYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-19(17-25-18-23(26)20-11-5-2-6-12-20)24(27,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,25,27H,17-18H2,1H3.
What are the key properties of 2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone?
2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone has a molecular weight of 359.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methyl-3,3-diphenylpropyl)amino]-1-phenylethanone is sourced from PubChem (CID 110176563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).