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

C20H24N2O2 — CID 4883620

IUPACN-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C20H24N2O2/c1-16(22-13-5-6-14-22)20(23)21-18-9-11-19(12-10-18)24-15-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3,(H,21,23)
InChIKeyFRAVPKGKOUNVSD-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.69
Rot. Bonds6

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

N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 4883620) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide
PubChem CID4883620
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C20H24N2O2/c1-16(22-13-5-6-14-22)20(23)21-18-9-11-19(12-10-18)24-15-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3,(H,21,23)
InChIKeyFRAVPKGKOUNVSD-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.69
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-ylpropanamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide (CID 4883620) is N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide is CC(C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCCC1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is FRAVPKGKOUNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(22-13-5-6-14-22)20(23)21-18-9-11-19(12-10-18)24-15-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3,(H,21,23).
What are the key properties of N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide?
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 324.42 g/mol, XLogP of 3.69, 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-ylpropanamide is sourced from PubChem (CID 4883620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).