(4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium

C21H27N2O2+ — CID 7419139

IUPAC(4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium
SMILESCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-19-11-9-18(10-12-19)16-22-20(15-17-7-3-2-4-8-17)21(24)23-13-5-6-14-23/h2-4,7-12,20,22H,5-6,13-16H2,1H3/p+1/t20-/m0/s1
InChIKeyNXWDRCSAJKTXSY-FQEVSTJZSA-O
MW339.46 g/mol
LogP1.99
Rot. Bonds7

About (4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium

(4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium (PubChem CID 7419139) has the molecular formula C21H27N2O2+ and a molecular weight of 339.46 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium
PubChem CID7419139
Molecular FormulaC21H27N2O2+
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name(4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium
SMILESCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-19-11-9-18(10-12-19)16-22-20(15-17-7-3-2-4-8-17)21(24)23-13-5-6-14-23/h2-4,7-12,20,22H,5-6,13-16H2,1H3/p+1/t20-/m0/s1
InChIKeyNXWDRCSAJKTXSY-FQEVSTJZSA-O
XLogP1.99
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Safinamide
CID 131682
Ambucetamide
CID 10616
Priralfinamide
CID 5745207
(2S,5R)-5-(4-((2-Fluorophenyl)methoxy)phenyl)-2-pyrrolidinecarboxamide
CID 16046068
Tiropramide
CID 42262
ZD-0892
CID 9892148
PD-173212
CID 9916734
Vixotrigine Hydrochloride
CID 16046067
PF-429242
CID 23661637
2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methoxyphenyl)phenyl]ethyl]amino}pentanamide
CID 23648302
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium?
The IUPAC name of (4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium (CID 7419139) is (4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium?
The canonical SMILES for (4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium is COc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium?
The InChIKey is NXWDRCSAJKTXSY-FQEVSTJZSA-O. The full InChI is InChI=1S/C21H26N2O2/c1-25-19-11-9-18(10-12-19)16-22-20(15-17-7-3-2-4-8-17)21(24)23-13-5-6-14-23/h2-4,7-12,20,22H,5-6,13-16H2,1H3/p+1/t20-/m0/s1.
What are the key properties of (4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium?
(4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium has a molecular weight of 339.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium is sourced from PubChem (CID 7419139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).