methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium

C27H32N3O2+ — CID 9268106

IUPACmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium
SMILESCc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)Cc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C27H31N3O2/c1-21-12-14-24(15-13-21)28-27(31)26(22-8-4-3-5-9-22)29(2)20-23-10-6-7-11-25(23)30-16-18-32-19-17-30/h3-15,26H,16-20H2,1-2H3,(H,28,31)/p+1/t26-/m1/s1
InChIKeyHKKRXFZASFYDGD-AREMUKBSSA-O
MW430.57 g/mol
LogP3.23
Rot. Bonds7

About methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium

methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium (PubChem CID 9268106) has the molecular formula C27H32N3O2+ and a molecular weight of 430.57 g/mol. Its IUPAC name is methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium
PubChem CID9268106
Molecular FormulaC27H32N3O2+
Molecular Weight430.57 g/mol
Exact Mass430.25
IUPAC Namemethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium
SMILESCc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)Cc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C27H31N3O2/c1-21-12-14-24(15-13-21)28-27(31)26(22-8-4-3-5-9-22)29(2)20-23-10-6-7-11-25(23)30-16-18-32-19-17-30/h3-15,26H,16-20H2,1-2H3,(H,28,31)/p+1/t26-/m1/s1
InChIKeyHKKRXFZASFYDGD-AREMUKBSSA-O
XLogP3.23
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium with MolForge

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Related Compounds

methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8516839
1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 8802236
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 9053196
(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide
CID 25334129
methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium
CID 9267796
methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 9327696
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
(3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 2553869
(2S)-N-(4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30735407
(2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide
CID 6991525
(2R)-2-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylacetamide
CID 95989343
(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 8725307

Frequently Asked Questions

What is the IUPAC name of methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium?
The IUPAC name of methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium (CID 9268106) is methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium.
What is the SMILES notation for methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium?
The canonical SMILES for methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium is Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)Cc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium?
The InChIKey is HKKRXFZASFYDGD-AREMUKBSSA-O. The full InChI is InChI=1S/C27H31N3O2/c1-21-12-14-24(15-13-21)28-27(31)26(22-8-4-3-5-9-22)29(2)20-23-10-6-7-11-25(23)30-16-18-32-19-17-30/h3-15,26H,16-20H2,1-2H3,(H,28,31)/p+1/t26-/m1/s1.
What are the key properties of methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium?
methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium has a molecular weight of 430.57 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium is sourced from PubChem (CID 9268106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).