[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

C18H23N2O2+ — CID 8898297

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-22-17-12-8-7-11-16(17)20-18(21)13-19-14(2)15-9-5-4-6-10-15/h4-12,14,19H,3,13H2,1-2H3,(H,20,21)/p+1/t14-/m1/s1
InChIKeyHFNUQTULWUYEGD-CQSZACIVSA-O
MW299.39 g/mol
LogP2.35
Rot. Bonds7

About [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 8898297) has the molecular formula C18H23N2O2+ and a molecular weight of 299.39 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID8898297
Molecular FormulaC18H23N2O2+
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-22-17-12-8-7-11-16(17)20-18(21)13-19-14(2)15-9-5-4-6-10-15/h4-12,14,19H,3,13H2,1-2H3,(H,20,21)/p+1/t14-/m1/s1
InChIKeyHFNUQTULWUYEGD-CQSZACIVSA-O
XLogP2.35
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898444
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133375
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684101
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
CID 2533842
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
2-[acetyl(1-phenylethyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113162068
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
CID 174193763
CID 174193763
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (CID 8898297) is [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is HFNUQTULWUYEGD-CQSZACIVSA-O. The full InChI is InChI=1S/C18H22N2O2/c1-3-22-17-12-8-7-11-16(17)20-18(21)13-19-14(2)15-9-5-4-6-10-15/h4-12,14,19H,3,13H2,1-2H3,(H,20,21)/p+1/t14-/m1/s1.
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 299.39 g/mol, XLogP of 2.35, 7 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-phenylethyl]azanium is sourced from PubChem (CID 8898297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).