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

C23H31N2O2+ — CID 8967736

IUPACcycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
SMILESCCOc1ccccc1NC(=O)[C@@H]([NH2+]C1CCCCCC1)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-2-27-21-17-11-10-16-20(21)25-23(26)22(18-12-6-5-7-13-18)24-19-14-8-3-4-9-15-19/h5-7,10-13,16-17,19,22,24H,2-4,8-9,14-15H2,1H3,(H,25,26)/p+1/t22-/m0/s1
InChIKeyQHGVJXUTGSXXCI-QFIPXVFZSA-O
MW367.51 g/mol
LogP4.05
Rot. Bonds7

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

cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium (PubChem CID 8967736) has the molecular formula C23H31N2O2+ and a molecular weight of 367.51 g/mol. Its IUPAC name is cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Namecycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
PubChem CID8967736
Molecular FormulaC23H31N2O2+
Molecular Weight367.51 g/mol
Exact Mass367.24
IUPAC Namecycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
SMILESCCOc1ccccc1NC(=O)[C@@H]([NH2+]C1CCCCCC1)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-2-27-21-17-11-10-16-20(21)25-23(26)22(18-12-6-5-7-13-18)24-19-14-8-3-4-9-15-19/h5-7,10-13,16-17,19,22,24H,2-4,8-9,14-15H2,1H3,(H,25,26)/p+1/t22-/m0/s1
InChIKeyQHGVJXUTGSXXCI-QFIPXVFZSA-O
XLogP4.05
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2468749
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
CID 2533842
2-(cyclohexylmethylamino)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 3873364
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8773859
[(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
(2R)-2-acetamido-2-cyclopentyl-N-(2-ethoxyphenyl)acetamide
CID 40938974
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-ethoxyphenyl)propanamide
CID 87040089
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
CID 46621239
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium (CID 8967736) is cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium is CCOc1ccccc1NC(=O)[C@@H]([NH2+]C1CCCCCC1)c1ccccc1.
What is the InChIKey of cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium?
The InChIKey is QHGVJXUTGSXXCI-QFIPXVFZSA-O. The full InChI is InChI=1S/C23H30N2O2/c1-2-27-21-17-11-10-16-20(21)25-23(26)22(18-12-6-5-7-13-18)24-19-14-8-3-4-9-15-19/h5-7,10-13,16-17,19,22,24H,2-4,8-9,14-15H2,1H3,(H,25,26)/p+1/t22-/m0/s1.
What are the key properties of cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium?
cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium has a molecular weight of 367.51 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 8967736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).