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

C22H23N2O+ — CID 6941331

IUPAC[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium
SMILES[NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H22N2O/c23-20(16-18-11-5-2-6-12-18)22(25)24-21-14-8-7-13-19(21)15-17-9-3-1-4-10-17/h1-14,20H,15-16,23H2,(H,24,25)/p+1/t20-/m1/s1
InChIKeyKBJUVNKKFWMDRP-HXUWFJFHSA-O
MW331.44 g/mol
LogP3.07
Rot. Bonds6

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

[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium (PubChem CID 6941331) has the molecular formula C22H23N2O+ and a molecular weight of 331.44 g/mol. Its IUPAC name is [(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium
PubChem CID6941331
Molecular FormulaC22H23N2O+
Molecular Weight331.44 g/mol
Exact Mass331.18
IUPAC Name[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium
SMILES[NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H22N2O/c23-20(16-18-11-5-2-6-12-18)22(25)24-21-14-8-7-13-19(21)15-17-9-3-1-4-10-17/h1-14,20H,15-16,23H2,(H,24,25)/p+1/t20-/m1/s1
InChIKeyKBJUVNKKFWMDRP-HXUWFJFHSA-O
XLogP3.07
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
[(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium
CID 6941208
[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 23548413
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42702728
2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42696556
N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide
CID 42702726
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
1-(2-benzylphenyl)-3-butan-2-ylurea
CID 75833712
(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 32728580

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium?
The IUPAC name of [(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium (CID 6941331) is [(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium?
The canonical SMILES for [(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium is [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of [(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium?
The InChIKey is KBJUVNKKFWMDRP-HXUWFJFHSA-O. The full InChI is InChI=1S/C22H22N2O/c23-20(16-18-11-5-2-6-12-18)22(25)24-21-14-8-7-13-19(21)15-17-9-3-1-4-10-17/h1-14,20H,15-16,23H2,(H,24,25)/p+1/t20-/m1/s1.
What are the key properties of [(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium?
[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium has a molecular weight of 331.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium is sourced from PubChem (CID 6941331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).