[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium

C24H27N2O3+ — CID 8515576

IUPAC[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium
SMILESCOc1cccc(NC(=O)[C@@H]([NH2+]CCOc2ccc(C)cc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c1-18-11-13-21(14-12-18)29-16-15-25-23(19-7-4-3-5-8-19)24(27)26-20-9-6-10-22(17-20)28-2/h3-14,17,23,25H,15-16H2,1-2H3,(H,26,27)/p+1/t23-/m0/s1
InChIKeyVIPYKWRCTNUCMS-QHCPKHFHSA-O
MW391.49 g/mol
LogP3.33
Rot. Bonds9

About [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium

[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium (PubChem CID 8515576) has the molecular formula C24H27N2O3+ and a molecular weight of 391.49 g/mol. Its IUPAC name is [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium
PubChem CID8515576
Molecular FormulaC24H27N2O3+
Molecular Weight391.49 g/mol
Exact Mass391.20
IUPAC Name[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium
SMILESCOc1cccc(NC(=O)[C@@H]([NH2+]CCOc2ccc(C)cc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c1-18-11-13-21(14-12-18)29-16-15-25-23(19-7-4-3-5-8-19)24(27)26-20-9-6-10-22(17-20)28-2/h3-14,17,23,25H,15-16H2,1-2H3,(H,26,27)/p+1/t23-/m0/s1
InChIKeyVIPYKWRCTNUCMS-QHCPKHFHSA-O
XLogP3.33
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 8515643
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7043455
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-methylbenzoate
CID 4803163
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
CID 2590287
N-(3-methoxyphenyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 4883661
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
(2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide
CID 7833216
(2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 98449975
[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898185
2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 51086382

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium?
The IUPAC name of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium (CID 8515576) is [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium.
What is the SMILES notation for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium?
The canonical SMILES for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium is COc1cccc(NC(=O)[C@@H]([NH2+]CCOc2ccc(C)cc2)c2ccccc2)c1.
What is the InChIKey of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium?
The InChIKey is VIPYKWRCTNUCMS-QHCPKHFHSA-O. The full InChI is InChI=1S/C24H26N2O3/c1-18-11-13-21(14-12-18)29-16-15-25-23(19-7-4-3-5-8-19)24(27)26-20-9-6-10-22(17-20)28-2/h3-14,17,23,25H,15-16H2,1-2H3,(H,26,27)/p+1/t23-/m0/s1.
What are the key properties of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium?
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium has a molecular weight of 391.49 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium is sourced from PubChem (CID 8515576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).