[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium

C25H29N2O3+ — CID 8514292

IUPAC[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c1
InChIInChI=1S/C25H28N2O3/c1-18-13-14-23(30-4)22(15-18)26-25(28)24(20-10-6-5-7-11-20)27(2)17-19-9-8-12-21(16-19)29-3/h5-16,24H,17H2,1-4H3,(H,26,28)/p+1/t24-/m1/s1
InChIKeyMAMVRQGPXMQXLU-XMMPIXPASA-O
MW405.52 g/mol
LogP3.41
Rot. Bonds8

About [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium

[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium (PubChem CID 8514292) has the molecular formula C25H29N2O3+ and a molecular weight of 405.52 g/mol. Its IUPAC name is [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
PubChem CID8514292
Molecular FormulaC25H29N2O3+
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c1
InChIInChI=1S/C25H28N2O3/c1-18-13-14-23(30-4)22(15-18)26-25(28)24(20-10-6-5-7-11-20)27(2)17-19-9-8-12-21(16-19)29-3/h5-16,24H,17H2,1-4H3,(H,26,28)/p+1/t24-/m1/s1
InChIKeyMAMVRQGPXMQXLU-XMMPIXPASA-O
XLogP3.41
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 2553869
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8788774
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
ethyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8718246
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853368
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517747
N-(2-methoxy-5-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8002693
(2R)-2-(3-cyanophenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8537318
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722308
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516784

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium (CID 8514292) is [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium is COc1cccc(C[NH+](C)[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c1.
What is the InChIKey of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The InChIKey is MAMVRQGPXMQXLU-XMMPIXPASA-O. The full InChI is InChI=1S/C25H28N2O3/c1-18-13-14-23(30-4)22(15-18)26-25(28)24(20-10-6-5-7-11-20)27(2)17-19-9-8-12-21(16-19)29-3/h5-16,24H,17H2,1-4H3,(H,26,28)/p+1/t24-/m1/s1.
What are the key properties of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium has a molecular weight of 405.52 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8514292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).