(3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium

C24H27N2O2+ — CID 2553869

IUPAC(3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
SMILESCOc1cccc(C[NH+](C)[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O2/c1-18-12-14-21(15-13-18)25-24(27)23(20-9-5-4-6-10-20)26(2)17-19-8-7-11-22(16-19)28-3/h4-16,23H,17H2,1-3H3,(H,25,27)/p+1/t23-/m1/s1
InChIKeyQWHLMLFFCMTLRN-HSZRJFAPSA-O
MW375.49 g/mol
LogP3.40
Rot. Bonds7

About (3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium

(3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium (PubChem CID 2553869) has the molecular formula C24H27N2O2+ and a molecular weight of 375.49 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
PubChem CID2553869
Molecular FormulaC24H27N2O2+
Molecular Weight375.49 g/mol
Exact Mass375.21
IUPAC Name(3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
SMILESCOc1cccc(C[NH+](C)[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O2/c1-18-12-14-21(15-13-18)25-24(27)23(20-9-5-4-6-10-20)26(2)17-19-8-7-11-22(16-19)28-3/h4-16,23H,17H2,1-3H3,(H,25,27)/p+1/t23-/m1/s1
InChIKeyQWHLMLFFCMTLRN-HSZRJFAPSA-O
XLogP3.40
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium with MolForge

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Related Compounds

[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8514292
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8788774
(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714062
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516784
methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8516839
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 9053196
1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 8802236
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588243
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylamino]-2-phenylacetamide
CID 46799477
N-(3-methoxyphenyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 4883661
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011333
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)acetate
CID 46645502

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of (3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium (CID 2553869) is (3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for (3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for (3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium is COc1cccc(C[NH+](C)[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium?
The InChIKey is QWHLMLFFCMTLRN-HSZRJFAPSA-O. The full InChI is InChI=1S/C24H26N2O2/c1-18-12-14-21(15-13-18)25-24(27)23(20-9-5-4-6-10-20)26(2)17-19-8-7-11-22(16-19)28-3/h4-16,23H,17H2,1-3H3,(H,25,27)/p+1/t23-/m1/s1.
What are the key properties of (3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium?
(3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium has a molecular weight of 375.49 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 2553869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).