[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium

C19H25N2O2+ — CID 2533842

IUPAC[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
SMILESCCOc1ccccc1NC(=O)[C@@H]([NH2+]C(C)C)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-4-23-17-13-9-8-12-16(17)21-19(22)18(20-14(2)3)15-10-6-5-7-11-15/h5-14,18,20H,4H2,1-3H3,(H,21,22)/p+1/t18-/m0/s1
InChIKeyLVGGMEWBHPEMRF-SFHVURJKSA-O
MW313.42 g/mol
LogP2.74
Rot. Bonds7

About [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium

[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium (PubChem CID 2533842) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
PubChem CID2533842
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Name[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
SMILESCCOc1ccccc1NC(=O)[C@@H]([NH2+]C(C)C)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-4-23-17-13-9-8-12-16(17)21-19(22)18(20-14(2)3)15-10-6-5-7-11-15/h5-14,18,20H,4H2,1-3H3,(H,21,22)/p+1/t18-/m0/s1
InChIKeyLVGGMEWBHPEMRF-SFHVURJKSA-O
XLogP2.74
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8967736
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium
CID 7928757
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(4-methylphenyl)methyl]azanium
CID 7928835
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2468749
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898297
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8773859
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
(2S)-N-(2-ethoxyphenyl)-2-naphthalen-1-yloxy-2-phenylacetamide
CID 7506073

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium?
The IUPAC name of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium (CID 2533842) is [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium.
What is the SMILES notation for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium?
The canonical SMILES for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium is CCOc1ccccc1NC(=O)[C@@H]([NH2+]C(C)C)c1ccccc1.
What is the InChIKey of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium?
The InChIKey is LVGGMEWBHPEMRF-SFHVURJKSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-4-23-17-13-9-8-12-16(17)21-19(22)18(20-14(2)3)15-10-6-5-7-11-15/h5-14,18,20H,4H2,1-3H3,(H,21,22)/p+1/t18-/m0/s1.
What are the key properties of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium?
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium has a molecular weight of 313.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium is sourced from PubChem (CID 2533842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).