cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium

C25H27N2O2+ — CID 8770300

IUPACcyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESCOc1ccc(C[NH+](CC(=O)Nc2ccccc2-c2ccccc2)C2CC2)cc1
InChIInChI=1S/C25H26N2O2/c1-29-22-15-11-19(12-16-22)17-27(21-13-14-21)18-25(28)26-24-10-6-5-9-23(24)20-7-3-2-4-8-20/h2-12,15-16,21H,13-14,17-18H2,1H3,(H,26,28)/p+1
InChIKeyXRDRKENCSFVXKZ-UHFFFAOYSA-O
MW387.50 g/mol
LogP3.55
Rot. Bonds8

About cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium

cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium (PubChem CID 8770300) has the molecular formula C25H27N2O2+ and a molecular weight of 387.50 g/mol. Its IUPAC name is cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
PubChem CID8770300
Molecular FormulaC25H27N2O2+
Molecular Weight387.50 g/mol
Exact Mass387.21
IUPAC Namecyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESCOc1ccc(C[NH+](CC(=O)Nc2ccccc2-c2ccccc2)C2CC2)cc1
InChIInChI=1S/C25H26N2O2/c1-29-22-15-11-19(12-16-22)17-27(21-13-14-21)18-25(28)26-24-10-6-5-9-23(24)20-7-3-2-4-8-20/h2-12,15-16,21H,13-14,17-18H2,1H3,(H,26,28)/p+1
InChIKeyXRDRKENCSFVXKZ-UHFFFAOYSA-O
XLogP3.55
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 8770863
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2656717
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium
CID 8770037
cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915560
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8904985
cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9300267
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8770486
(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2657545
N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide
CID 1462946
cyclopropyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 8770655
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8587774

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The IUPAC name of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium (CID 8770300) is cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The canonical SMILES for cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium is COc1ccc(C[NH+](CC(=O)Nc2ccccc2-c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The InChIKey is XRDRKENCSFVXKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H26N2O2/c1-29-22-15-11-19(12-16-22)17-27(21-13-14-21)18-25(28)26-24-10-6-5-9-23(24)20-7-3-2-4-8-20/h2-12,15-16,21H,13-14,17-18H2,1H3,(H,26,28)/p+1.
What are the key properties of cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium has a molecular weight of 387.50 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium is sourced from PubChem (CID 8770300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).