[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium

C21H29N2O3+ — CID 7928757

IUPAC[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium
SMILESCCOCCC[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1
InChIInChI=1S/C21H28N2O3/c1-3-25-16-10-15-22-20(17-11-6-5-7-12-17)21(24)23-18-13-8-9-14-19(18)26-4-2/h5-9,11-14,20,22H,3-4,10,15-16H2,1-2H3,(H,23,24)/p+1/t20-/m0/s1
InChIKeyWSGDRZUDGGGPSS-FQEVSTJZSA-O
MW357.47 g/mol
LogP2.76
Rot. Bonds11

About [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium

[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium (PubChem CID 7928757) has the molecular formula C21H29N2O3+ and a molecular weight of 357.47 g/mol. Its IUPAC name is [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium.

Molecular Properties

Compound Name[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium
PubChem CID7928757
Molecular FormulaC21H29N2O3+
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium
SMILESCCOCCC[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1
InChIInChI=1S/C21H28N2O3/c1-3-25-16-10-15-22-20(17-11-6-5-7-12-17)21(24)23-18-13-8-9-14-19(18)26-4-2/h5-9,11-14,20,22H,3-4,10,15-16H2,1-2H3,(H,23,24)/p+1/t20-/m0/s1
InChIKeyWSGDRZUDGGGPSS-FQEVSTJZSA-O
XLogP2.76
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium 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

[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
CID 2533842
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(4-methylphenyl)methyl]azanium
CID 7928835
cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8967736
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2468749
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8773859
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-butoxybenzoate
CID 3259841
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898297
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7506876

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium?
The IUPAC name of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium (CID 7928757) is [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium.
What is the SMILES notation for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium?
The canonical SMILES for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium is CCOCCC[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1.
What is the InChIKey of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium?
The InChIKey is WSGDRZUDGGGPSS-FQEVSTJZSA-O. The full InChI is InChI=1S/C21H28N2O3/c1-3-25-16-10-15-22-20(17-11-6-5-7-12-17)21(24)23-18-13-8-9-14-19(18)26-4-2/h5-9,11-14,20,22H,3-4,10,15-16H2,1-2H3,(H,23,24)/p+1/t20-/m0/s1.
What are the key properties of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium?
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium has a molecular weight of 357.47 g/mol, XLogP of 2.76, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium is sourced from PubChem (CID 7928757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).