[(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium

C21H21N2O2+ — CID 6941208

IUPAC[(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium
SMILES[NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H20N2O2/c22-18(15-16-9-3-1-4-10-16)21(24)23-19-13-7-8-14-20(19)25-17-11-5-2-6-12-17/h1-14,18H,15,22H2,(H,23,24)/p+1/t18-/m1/s1
InChIKeyHXFZCDSEZGRDBN-GOSISDBHSA-O
MW333.41 g/mol
LogP3.27
Rot. Bonds6

About [(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium

[(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium (PubChem CID 6941208) has the molecular formula C21H21N2O2+ and a molecular weight of 333.41 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium
PubChem CID6941208
Molecular FormulaC21H21N2O2+
Molecular Weight333.41 g/mol
Exact Mass333.16
IUPAC Name[(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium
SMILES[NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H20N2O2/c22-18(15-16-9-3-1-4-10-16)21(24)23-19-13-7-8-14-20(19)25-17-11-5-2-6-12-17/h1-14,18H,15,22H2,(H,23,24)/p+1/t18-/m1/s1
InChIKeyHXFZCDSEZGRDBN-GOSISDBHSA-O
XLogP3.27
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 6941331
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
3-chloro-2,2-dimethyl-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]propanamide
CID 42704771
N-(2-phenoxyphenyl)-2-phenylpropanamide
CID 2933761
6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide
CID 42764519
4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide
CID 80541383
2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 21368419
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
2-[(3-methoxyphenyl)methoxy]-N-(2-phenoxyphenyl)propanamide
CID 46450815
[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 23548413
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
2-chloro-N-[(2-phenoxyphenyl)carbamoyl]acetamide
CID 43328802

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium?
The IUPAC name of [(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium (CID 6941208) is [(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium?
The canonical SMILES for [(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium is [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium?
The InChIKey is HXFZCDSEZGRDBN-GOSISDBHSA-O. The full InChI is InChI=1S/C21H20N2O2/c22-18(15-16-9-3-1-4-10-16)21(24)23-19-13-7-8-14-20(19)25-17-11-5-2-6-12-17/h1-14,18H,15,22H2,(H,23,24)/p+1/t18-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium?
[(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium has a molecular weight of 333.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium is sourced from PubChem (CID 6941208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).