cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium

C22H29N2O2+ — CID 8915560

IUPACcyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCOc1ccccc1NC(=O)C[NH+](Cc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C22H28N2O2/c1-16(2)18-10-8-17(9-11-18)14-24(19-12-13-19)15-22(25)23-20-6-4-5-7-21(20)26-3/h4-11,16,19H,12-15H2,1-3H3,(H,23,25)/p+1
InChIKeyQGFNXKQCAMTITB-UHFFFAOYSA-O
MW353.49 g/mol
LogP3.00
Rot. Bonds8

About cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium

cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 8915560) has the molecular formula C22H29N2O2+ and a molecular weight of 353.49 g/mol. Its IUPAC name is cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID8915560
Molecular FormulaC22H29N2O2+
Molecular Weight353.49 g/mol
Exact Mass353.22
IUPAC Namecyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCOc1ccccc1NC(=O)C[NH+](Cc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C22H28N2O2/c1-16(2)18-10-8-17(9-11-18)14-24(19-12-13-19)15-22(25)23-20-6-4-5-7-21(20)26-3/h4-11,16,19H,12-15H2,1-3H3,(H,23,25)/p+1
InChIKeyQGFNXKQCAMTITB-UHFFFAOYSA-O
XLogP3.00
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028658
cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9300267
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8904985
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8770300
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
[2-(2-benzylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905358
cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 8770863
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8916373
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium
CID 8770636
N-(2-methoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 113154354

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium (CID 8915560) is cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium is COc1ccccc1NC(=O)C[NH+](Cc1ccc(C(C)C)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is QGFNXKQCAMTITB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)18-10-8-17(9-11-18)14-24(19-12-13-19)15-22(25)23-20-6-4-5-7-21(20)26-3/h4-11,16,19H,12-15H2,1-3H3,(H,23,25)/p+1.
What are the key properties of cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 353.49 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 8915560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).