[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium

C20H26FN2O2+ — CID 9133375

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
SMILESCCOc1ccccc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C
InChIInChI=1S/C20H25FN2O2/c1-4-25-18-8-6-5-7-17(18)23-19(24)13-22-20(14(2)3)15-9-11-16(21)12-10-15/h5-12,14,20,22H,4,13H2,1-3H3,(H,23,24)/p+1/t20-/m1/s1
InChIKeyQJTKPHVIKFLVHY-HXUWFJFHSA-O
MW345.44 g/mol
LogP3.12
Rot. Bonds8

About [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium

[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium (PubChem CID 9133375) has the molecular formula C20H26FN2O2+ and a molecular weight of 345.44 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
PubChem CID9133375
Molecular FormulaC20H26FN2O2+
Molecular Weight345.44 g/mol
Exact Mass345.20
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
SMILESCCOc1ccccc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C
InChIInChI=1S/C20H25FN2O2/c1-4-25-18-8-6-5-7-17(18)23-19(24)13-22-20(14(2)3)15-9-11-16(21)12-10-15/h5-12,14,20,22H,4,13H2,1-3H3,(H,23,24)/p+1/t20-/m1/s1
InChIKeyQJTKPHVIKFLVHY-HXUWFJFHSA-O
XLogP3.12
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898297
[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131816
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 8992045
N-(2-ethoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 31895143
[2-(2-acetylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132063
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512967
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132052
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 1412133

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium (CID 9133375) is [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium is CCOc1ccccc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
The InChIKey is QJTKPHVIKFLVHY-HXUWFJFHSA-O. The full InChI is InChI=1S/C20H25FN2O2/c1-4-25-18-8-6-5-7-17(18)23-19(24)13-22-20(14(2)3)15-9-11-16(21)12-10-15/h5-12,14,20,22H,4,13H2,1-3H3,(H,23,24)/p+1/t20-/m1/s1.
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium has a molecular weight of 345.44 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium is sourced from PubChem (CID 9133375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).