N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide

C19H22N2O2 — CID 3272474

IUPACN-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESCOc1cccc(NC(=O)C(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C19H22N2O2/c1-23-17-11-7-10-16(14-17)20-19(22)18(21-12-5-6-13-21)15-8-3-2-4-9-15/h2-4,7-11,14,18H,5-6,12-13H2,1H3,(H,20,22)
InChIKeyZMMIFRVJPCCYOV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.47
Rot. Bonds5

About N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide

N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 3272474) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
PubChem CID3272474
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESCOc1cccc(NC(=O)C(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C19H22N2O2/c1-23-17-11-7-10-16(14-17)20-19(22)18(21-12-5-6-13-21)15-8-3-2-4-9-15/h2-4,7-11,14,18H,5-6,12-13H2,1H3,(H,20,22)
InChIKeyZMMIFRVJPCCYOV-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide (CID 3272474) is N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide is COc1cccc(NC(=O)C(c2ccccc2)N2CCCC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is ZMMIFRVJPCCYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-17-11-7-10-16(14-17)20-19(22)18(21-12-5-6-13-21)15-8-3-2-4-9-15/h2-4,7-11,14,18H,5-6,12-13H2,1H3,(H,20,22).
What are the key properties of N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 310.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3272474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).