[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium

C22H25N2O2+ — CID 9397491

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
SMILESCCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H24N2O2/c1-3-26-19-13-11-18(12-14-19)24-22(25)15-23-16(2)20-10-6-8-17-7-4-5-9-21(17)20/h4-14,16,23H,3,15H2,1-2H3,(H,24,25)/p+1/t16-/m1/s1
InChIKeyXQLVELBUNASFKB-MRXNPFEDSA-O
MW349.45 g/mol
LogP3.50
Rot. Bonds7

About [2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium

[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium (PubChem CID 9397491) has the molecular formula C22H25N2O2+ and a molecular weight of 349.45 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
PubChem CID9397491
Molecular FormulaC22H25N2O2+
Molecular Weight349.45 g/mol
Exact Mass349.19
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
SMILESCCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H24N2O2/c1-3-26-19-13-11-18(12-14-19)24-22(25)15-23-16(2)20-10-6-8-17-7-4-5-9-21(17)20/h4-14,16,23H,3,15H2,1-2H3,(H,24,25)/p+1/t16-/m1/s1
InChIKeyXQLVELBUNASFKB-MRXNPFEDSA-O
XLogP3.50
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396987
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397393
[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9396462
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397086
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397675
[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8695493
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium
CID 9376801
[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9396559
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397352
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161
1-(4-ethoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657836

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium (CID 9397491) is [2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium is CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc23)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The InChIKey is XQLVELBUNASFKB-MRXNPFEDSA-O. The full InChI is InChI=1S/C22H24N2O2/c1-3-26-19-13-11-18(12-14-19)24-22(25)15-23-16(2)20-10-6-8-17-7-4-5-9-21(17)20/h4-14,16,23H,3,15H2,1-2H3,(H,24,25)/p+1/t16-/m1/s1.
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium has a molecular weight of 349.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium is sourced from PubChem (CID 9397491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).