2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium

C24H27N2O3+ — CID 8515643

IUPAC2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
SMILESCOc1ccccc1OCC[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H26N2O3/c1-18-12-14-20(15-13-18)26-24(27)23(19-8-4-3-5-9-19)25-16-17-29-22-11-7-6-10-21(22)28-2/h3-15,23,25H,16-17H2,1-2H3,(H,26,27)/p+1/t23-/m0/s1
InChIKeyXYHAWFNDPXNCGY-QHCPKHFHSA-O
MW391.49 g/mol
LogP3.33
Rot. Bonds9

About 2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium

2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium (PubChem CID 8515643) has the molecular formula C24H27N2O3+ and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
PubChem CID8515643
Molecular FormulaC24H27N2O3+
Molecular Weight391.49 g/mol
Exact Mass391.20
IUPAC Name2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
SMILESCOc1ccccc1OCC[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H26N2O3/c1-18-12-14-20(15-13-18)26-24(27)23(19-8-4-3-5-9-19)25-16-17-29-22-11-7-6-10-21(22)28-2/h3-15,23,25H,16-17H2,1-2H3,(H,26,27)/p+1/t23-/m0/s1
InChIKeyXYHAWFNDPXNCGY-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

[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium
CID 8515576
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912968
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 2453736
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(4-methylphenyl)methyl]azanium
CID 7928835
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium
CID 2407048
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
1-O-methyl 2-O-[2-(4-methylanilino)-2-oxo-1-phenylethyl] benzene-1,2-dicarboxylate
CID 56506522
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of 2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium (CID 8515643) is 2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for 2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for 2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium is COc1ccccc1OCC[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium?
The InChIKey is XYHAWFNDPXNCGY-QHCPKHFHSA-O. The full InChI is InChI=1S/C24H26N2O3/c1-18-12-14-20(15-13-18)26-24(27)23(19-8-4-3-5-9-19)25-16-17-29-22-11-7-6-10-21(22)28-2/h3-15,23,25H,16-17H2,1-2H3,(H,26,27)/p+1/t23-/m0/s1.
What are the key properties of 2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium?
2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]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 2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 8515643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).