(3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one

C24H21NO2 — CID 141145619

IUPAC(3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one
SMILESCOc1ccc([C@H](C#Cc2ccccc2)CC(=O)c2ccccc2N)cc1
InChIInChI=1S/C24H21NO2/c1-27-21-15-13-19(14-16-21)20(12-11-18-7-3-2-4-8-18)17-24(26)22-9-5-6-10-23(22)25/h2-10,13-16,20H,17,25H2,1H3/t20-/m1/s1
InChIKeyYAGADOQXKSPJGG-HXUWFJFHSA-N
MW355.44 g/mol
LogP4.69
Rot. Bonds5

About (3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one

(3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one (PubChem CID 141145619) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one.

Molecular Properties

Compound Name(3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one
PubChem CID141145619
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one
SMILESCOc1ccc([C@H](C#Cc2ccccc2)CC(=O)c2ccccc2N)cc1
InChIInChI=1S/C24H21NO2/c1-27-21-15-13-19(14-16-21)20(12-11-18-7-3-2-4-8-18)17-24(26)22-9-5-6-10-23(22)25/h2-10,13-16,20H,17,25H2,1H3/t20-/m1/s1
InChIKeyYAGADOQXKSPJGG-HXUWFJFHSA-N
XLogP4.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-2-(4-methoxyphenyl)-4-phenylbutane-1,4-dione
CID 177441445
(3R)-1-(2-aminophenyl)-5-methyl-3-(2-phenylethynyl)hexan-1-one
CID 141145609
3-(4-bromophenyl)-1,5-diphenylpent-4-yn-1-one
CID 71723905
1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867
(3S)-1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pent-4-yn-1-one
CID 162539732
(3R)-3-(2-aminophenyl)sulfanyl-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 6962251
1-methoxy-4-(4-phenylbut-3-yn-2-yl)benzene
CID 53349236
(2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol
CID 56834337
2-[1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]-1-(2-methylphenyl)-3-phenylpropane-1,3-dione
CID 102389634
2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]benzoic acid
CID 11078900
N-methyl-3,5-diphenylpent-4-ynamide
CID 135041577
1-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-one
CID 175236811

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one?
The IUPAC name of (3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one (CID 141145619) is (3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one.
What is the SMILES notation for (3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one?
The canonical SMILES for (3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one is COc1ccc([C@H](C#Cc2ccccc2)CC(=O)c2ccccc2N)cc1.
What is the InChIKey of (3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one?
The InChIKey is YAGADOQXKSPJGG-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21NO2/c1-27-21-15-13-19(14-16-21)20(12-11-18-7-3-2-4-8-18)17-24(26)22-9-5-6-10-23(22)25/h2-10,13-16,20H,17,25H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one?
(3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one has a molecular weight of 355.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one is sourced from PubChem (CID 141145619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).