[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium

C19H25N2O2+ — CID 2462349

IUPAC[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-23-18-11-9-17(10-12-18)14-21(2)15-19(22)20-13-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,20,22)/p+1
InChIKeyORODIZYHCJJQPX-UHFFFAOYSA-O
MW313.42 g/mol
LogP1.42
Rot. Bonds8

About [2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium

[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium (PubChem CID 2462349) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
PubChem CID2462349
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Name[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-23-18-11-9-17(10-12-18)14-21(2)15-19(22)20-13-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,20,22)/p+1
InChIKeyORODIZYHCJJQPX-UHFFFAOYSA-O
XLogP1.42
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 8799055
(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8695083
[2-(2-bromoanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799513
(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797883
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799316
(4-ethoxyphenyl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 8024025
(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9040303
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 9168011

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium (CID 2462349) is [2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium is CCOc1ccc(C[NH+](C)CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium?
The InChIKey is ORODIZYHCJJQPX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-3-23-18-11-9-17(10-12-18)14-21(2)15-19(22)20-13-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,20,22)/p+1.
What are the key properties of [2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium?
[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium has a molecular weight of 313.42 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 2462349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).