N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide

C19H22N2O2 — CID 930664

IUPACN-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c22-19(14-21-12-4-5-13-21)20-17-8-10-18(11-9-17)23-15-16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2,(H,20,22)
InChIKeyNQJZLOZCLIFKTJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.30
Rot. Bonds6

About N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide

N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 930664) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID930664
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c22-19(14-21-12-4-5-13-21)20-17-8-10-18(11-9-17)23-15-16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2,(H,20,22)
InChIKeyNQJZLOZCLIFKTJ-UHFFFAOYSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide (CID 930664) is N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is NQJZLOZCLIFKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(14-21-12-4-5-13-21)20-17-8-10-18(11-9-17)23-15-16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2,(H,20,22).
What are the key properties of N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 310.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 930664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).