4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide

C23H26N2O5 — CID 55741827

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H26N2O5/c1-16(26)17-7-12-20(21(15-17)29-2)30-14-4-5-22(27)24-18-8-10-19(11-9-18)25-13-3-6-23(25)28/h7-12,15H,3-6,13-14H2,1-2H3,(H,24,27)
InChIKeyGNSULCAWCCCWEX-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.82
Rot. Bonds9

About 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (PubChem CID 55741827) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
PubChem CID55741827
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H26N2O5/c1-16(26)17-7-12-20(21(15-17)29-2)30-14-4-5-22(27)24-18-8-10-19(11-9-18)25-13-3-6-23(25)28/h7-12,15H,3-6,13-14H2,1-2H3,(H,24,27)
InChIKeyGNSULCAWCCCWEX-UHFFFAOYSA-N
XLogP3.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 55691944
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 51172435
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-butoxy-3-ethoxybenzoate
CID 27717588
4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide
CID 55894328
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34192175
4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide
CID 55789835
4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
CID 55738606
4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide
CID 99948907
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8694839
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (CID 55741827) is 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The InChIKey is GNSULCAWCCCWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-16(26)17-7-12-20(21(15-17)29-2)30-14-4-5-22(27)24-18-8-10-19(11-9-18)25-13-3-6-23(25)28/h7-12,15H,3-6,13-14H2,1-2H3,(H,24,27).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide has a molecular weight of 410.47 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 55741827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).