N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide

C20H24N2O2 — CID 119554556

IUPACN-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)C1CCNC1
InChIInChI=1S/C20H24N2O2/c1-15(20(23)22(2)18-12-13-21-14-18)24-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,15,18,21H,12-14H2,1-2H3
InChIKeyKHUUYTIMBCNBLB-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.94
Rot. Bonds5

About N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide

N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide (PubChem CID 119554556) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
PubChem CID119554556
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)C1CCNC1
InChIInChI=1S/C20H24N2O2/c1-15(20(23)22(2)18-12-13-21-14-18)24-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,15,18,21H,12-14H2,1-2H3
InChIKeyKHUUYTIMBCNBLB-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide (CID 119554556) is N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)C1CCNC1.
What is the InChIKey of N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is KHUUYTIMBCNBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(20(23)22(2)18-12-13-21-14-18)24-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,15,18,21H,12-14H2,1-2H3.
What are the key properties of N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide?
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 324.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119554556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).