4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one

C25H27NO2 — CID 110176873

IUPAC4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one
SMILESCC(NCC(C(=O)Cc1ccccc1)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-19(25(28)22-15-9-4-10-16-22)26-18-23(21-13-7-3-8-14-21)24(27)17-20-11-5-2-6-12-20/h2-16,19,23,25-26,28H,17-18H2,1H3
InChIKeyNMAKPXLZMMWECE-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.29
Rot. Bonds9

About 4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one

4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one (PubChem CID 110176873) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one.

Molecular Properties

Compound Name4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one
PubChem CID110176873
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one
SMILESCC(NCC(C(=O)Cc1ccccc1)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-19(25(28)22-15-9-4-10-16-22)26-18-23(21-13-7-3-8-14-21)24(27)17-20-11-5-2-6-12-20/h2-16,19,23,25-26,28H,17-18H2,1H3
InChIKeyNMAKPXLZMMWECE-UHFFFAOYSA-N
XLogP4.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-4''-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-isobutylbiphenyl-4-carboxylic acid
CID 10002049
4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]amino}ethyl)-3-isobutyl-4-biphenylcarboxylic acid
CID 11224220
2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium
CID 155920141
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]benzoic acid
CID 24895789
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
1-Cyclohexyl-3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-propanone
CID 51719
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761709
2-[(2,2-diphenylacetyl)amino]-N-[1-[(2-hydroxy-2-phenylethyl)amino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CID 44353545
2-[(2,2-diphenylacetyl)amino]-N-[4-[(2-hydroxy-2-phenylethyl)amino]-3,4-dioxo-1-phenylbutan-2-yl]-4-methylpentanamide
CID 44353631
2-[1-(4-Ethylphenyl)propan-2-ylamino]-1-phenylethanol;hydrate
CID 44522701

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one?
The IUPAC name of 4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one (CID 110176873) is 4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one.
What is the SMILES notation for 4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one?
The canonical SMILES for 4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one is CC(NCC(C(=O)Cc1ccccc1)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one?
The InChIKey is NMAKPXLZMMWECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-19(25(28)22-15-9-4-10-16-22)26-18-23(21-13-7-3-8-14-21)24(27)17-20-11-5-2-6-12-20/h2-16,19,23,25-26,28H,17-18H2,1H3.
What are the key properties of 4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one?
4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one has a molecular weight of 373.50 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3-diphenylbutan-2-one is sourced from PubChem (CID 110176873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).