3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

C22H24N2O4 — CID 34236405

IUPAC3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCC(=O)c1ccc(OCCC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H24N2O4/c1-16(25)18-6-10-20(11-7-18)28-14-12-21(26)23-15-17-4-8-19(9-5-17)24-13-2-3-22(24)27/h4-11H,2-3,12-15H2,1H3,(H,23,26)
InChIKeyCIHNNNZYVQBKCQ-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.10
Rot. Bonds8

About 3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (PubChem CID 34236405) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
PubChem CID34236405
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCC(=O)c1ccc(OCCC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H24N2O4/c1-16(25)18-6-10-20(11-7-18)28-14-12-21(26)23-15-17-4-8-19(9-5-17)24-13-2-3-22(24)27/h4-11H,2-3,12-15H2,1H3,(H,23,26)
InChIKeyCIHNNNZYVQBKCQ-UHFFFAOYSA-N
XLogP3.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
1-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413462
3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 134034707
4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 119749212
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87005089
3-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589520
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669
4-amino-3-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 120587440
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
CID 46490538

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (CID 34236405) is 3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is CC(=O)c1ccc(OCCC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of 3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The InChIKey is CIHNNNZYVQBKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-16(25)18-6-10-20(11-7-18)28-14-12-21(26)23-15-17-4-8-19(9-5-17)24-13-2-3-22(24)27/h4-11H,2-3,12-15H2,1H3,(H,23,26).
What are the key properties of 3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide has a molecular weight of 380.44 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 34236405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).