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

C23H25N2O2+ — CID 2656717

IUPAC(3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H24N2O2/c1-25(16-18-9-8-12-20(15-18)27-2)17-23(26)24-22-14-7-6-13-21(22)19-10-4-3-5-11-19/h3-15H,16-17H2,1-2H3,(H,24,26)/p+1
InChIKeySCQKYYXLWWOMLU-UHFFFAOYSA-O
MW361.47 g/mol
LogP3.02
Rot. Bonds7

About (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium

(3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium (PubChem CID 2656717) has the molecular formula C23H25N2O2+ and a molecular weight of 361.47 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
PubChem CID2656717
Molecular FormulaC23H25N2O2+
Molecular Weight361.47 g/mol
Exact Mass361.19
IUPAC Name(3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H24N2O2/c1-25(16-18-9-8-12-20(15-18)27-2)17-23(26)24-22-14-7-6-13-21(22)19-10-4-3-5-11-19/h3-15H,16-17H2,1-2H3,(H,24,26)/p+1
InChIKeySCQKYYXLWWOMLU-UHFFFAOYSA-O
XLogP3.02
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2657545
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2698245
(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714062
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8794639
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8770300
[2-(2-fluoroanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054039
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2656735
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8794772
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789204
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8780652
2-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)acetamide
CID 78804018
benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The IUPAC name of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium (CID 2656717) is (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium.
What is the SMILES notation for (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The canonical SMILES for (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium is COc1cccc(C[NH+](C)CC(=O)Nc2ccccc2-c2ccccc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The InChIKey is SCQKYYXLWWOMLU-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24N2O2/c1-25(16-18-9-8-12-20(15-18)27-2)17-23(26)24-22-14-7-6-13-21(22)19-10-4-3-5-11-19/h3-15H,16-17H2,1-2H3,(H,24,26)/p+1.
What are the key properties of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium has a molecular weight of 361.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium is sourced from PubChem (CID 2656717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).