3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide

C22H25NO4 — CID 15864451

IUPAC3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide
SMILESCOc1ccc(C(C2CCOC2=O)C(C(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C22H25NO4/c1-23(2)21(24)20(15-7-5-4-6-8-15)19(18-13-14-27-22(18)25)16-9-11-17(26-3)12-10-16/h4-12,18-20H,13-14H2,1-3H3
InChIKeyGKJIEIKWOSKJJV-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.21
Rot. Bonds6

About 3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide

3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide (PubChem CID 15864451) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide
PubChem CID15864451
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide
SMILESCOc1ccc(C(C2CCOC2=O)C(C(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C22H25NO4/c1-23(2)21(24)20(15-7-5-4-6-8-15)19(18-13-14-27-22(18)25)16-9-11-17(26-3)12-10-16/h4-12,18-20H,13-14H2,1-3H3
InChIKeyGKJIEIKWOSKJJV-UHFFFAOYSA-N
XLogP3.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide (CID 15864451) is 3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide is COc1ccc(C(C2CCOC2=O)C(C(=O)N(C)C)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide?
The InChIKey is GKJIEIKWOSKJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-23(2)21(24)20(15-7-5-4-6-8-15)19(18-13-14-27-22(18)25)16-9-11-17(26-3)12-10-16/h4-12,18-20H,13-14H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide?
3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide has a molecular weight of 367.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N,N-dimethyl-3-(2-oxooxolan-3-yl)-2-phenylpropanamide is sourced from PubChem (CID 15864451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).