(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium

C24H27N2O3+ — CID 2657545

IUPAC(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2ccccc2-c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-26(16-18-13-14-22(28-2)23(15-18)29-3)17-24(27)25-21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3,(H,25,27)/p+1
InChIKeyWMBBWAADQCYULC-UHFFFAOYSA-O
MW391.49 g/mol
LogP3.02
Rot. Bonds8

About (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium

(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium (PubChem CID 2657545) has the molecular formula C24H27N2O3+ and a molecular weight of 391.49 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
PubChem CID2657545
Molecular FormulaC24H27N2O3+
Molecular Weight391.49 g/mol
Exact Mass391.20
IUPAC Name(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2ccccc2-c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-26(16-18-13-14-22(28-2)23(15-18)29-3)17-24(27)25-21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3,(H,25,27)/p+1
InChIKeyWMBBWAADQCYULC-UHFFFAOYSA-O
XLogP3.02
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2656717
3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200
[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 9434510
2-(3-methoxy-4-methylphenyl)-N-(2-phenylphenyl)acetamide
CID 17476881
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698887
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698907
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
[2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium
CID 2514338
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2656783
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea
CID 171678550

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The IUPAC name of (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium (CID 2657545) is (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium.
What is the SMILES notation for (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The canonical SMILES for (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium is COc1ccc(C[NH+](C)CC(=O)Nc2ccccc2-c2ccccc2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The InChIKey is WMBBWAADQCYULC-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26N2O3/c1-26(16-18-13-14-22(28-2)23(15-18)29-3)17-24(27)25-21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3,(H,25,27)/p+1.
What are the key properties of (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium has a molecular weight of 391.49 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium is sourced from PubChem (CID 2657545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).