[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C26H29N2O2+ — CID 2468749

IUPAC[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCCOc1ccccc1NC(=O)[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-2-30-24-18-9-8-16-23(24)28-26(29)25(20-12-4-3-5-13-20)27-22-17-10-14-19-11-6-7-15-21(19)22/h3-9,11-13,15-16,18,22,25,27H,2,10,14,17H2,1H3,(H,28,29)/p+1/t22-,25+/m0/s1
InChIKeyLFKBKQKEYPIDKA-WIOPSUGQSA-O
MW401.53 g/mol
LogP4.41
Rot. Bonds7

About [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 2468749) has the molecular formula C26H29N2O2+ and a molecular weight of 401.53 g/mol. Its IUPAC name is [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID2468749
Molecular FormulaC26H29N2O2+
Molecular Weight401.53 g/mol
Exact Mass401.22
IUPAC Name[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCCOc1ccccc1NC(=O)[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-2-30-24-18-9-8-16-23(24)28-26(29)25(20-12-4-3-5-13-20)27-22-17-10-14-19-11-6-7-15-21(19)22/h3-9,11-13,15-16,18,22,25,27H,2,10,14,17H2,1H3,(H,28,29)/p+1/t22-,25+/m0/s1
InChIKeyLFKBKQKEYPIDKA-WIOPSUGQSA-O
XLogP4.41
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8773859
cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8967736
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2539824
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
CID 2533842
(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 8773922
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 18078382
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(4-methylphenyl)methyl]azanium
CID 7928835
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-(3-ethoxypropyl)azanium
CID 7928757
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
2-(cyclohexylmethylamino)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 3873364
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
N-(2-ethoxyphenyl)-2-(3-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 18083515

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 2468749) is [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is CCOc1ccccc1NC(=O)[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is LFKBKQKEYPIDKA-WIOPSUGQSA-O. The full InChI is InChI=1S/C26H28N2O2/c1-2-30-24-18-9-8-16-23(24)28-26(29)25(20-12-4-3-5-13-20)27-22-17-10-14-19-11-6-7-15-21(19)22/h3-9,11-13,15-16,18,22,25,27H,2,10,14,17H2,1H3,(H,28,29)/p+1/t22-,25+/m0/s1.
What are the key properties of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 401.53 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 2468749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).