benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium

C19H25N2O2+ — CID 9274599

IUPACbenzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCCOc1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-23-18-12-10-17(11-13-18)20-19(22)15(2)21(3)14-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H,20,22)/p+1/t15-/m1/s1
InChIKeyHHBCCZJEPSGQEY-OAHLLOKOSA-O
MW313.42 g/mol
LogP2.13
Rot. Bonds7

About benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium

benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 9274599) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Namebenzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
PubChem CID9274599
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Namebenzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCCOc1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-23-18-12-10-17(11-13-18)20-19(22)15(2)21(3)14-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H,20,22)/p+1/t15-/m1/s1
InChIKeyHHBCCZJEPSGQEY-OAHLLOKOSA-O
XLogP2.13
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 9494768
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274622
2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9461299
benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274743
[2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium
CID 8712180
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8798946
4-(4-ethoxyanilino)-3-methyl-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid
CID 3133551
N-[(2R)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 40631438
benzyl N-[1-(4-ethoxyanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 5025804
N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775
(3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid
CID 761485

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium (CID 9274599) is benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium is CCOc1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2ccccc2)cc1.
What is the InChIKey of benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is HHBCCZJEPSGQEY-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-4-23-18-12-10-17(11-13-18)20-19(22)15(2)21(3)14-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H,20,22)/p+1/t15-/m1/s1.
What are the key properties of benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium?
benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 313.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9274599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).