4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide

C23H28N2O5 — CID 55894328

IUPAC4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2OC)cc1
InChIInChI=1S/C23H28N2O5/c1-4-13-24-23(28)17-7-10-19(11-8-17)25-22(27)6-5-14-30-20-12-9-18(16(2)26)15-21(20)29-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyQEUAISJNULTBFY-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.84
Rot. Bonds11

About 4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide

4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide (PubChem CID 55894328) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide
PubChem CID55894328
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2OC)cc1
InChIInChI=1S/C23H28N2O5/c1-4-13-24-23(28)17-7-10-19(11-8-17)25-22(27)6-5-14-30-20-12-9-18(16(2)26)15-21(20)29-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyQEUAISJNULTBFY-UHFFFAOYSA-N
XLogP3.84
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
CID 55738606
N-[2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]ethyl]-4-chlorobenzamide
CID 55761848
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide
CID 55789835
4-(4-acetyl-2-methoxyphenoxy)-N-[4-[benzyl(methyl)amino]phenyl]butanamide
CID 60536977
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218213
4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 55741827
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide?
The IUPAC name of 4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide (CID 55894328) is 4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide.
What is the SMILES notation for 4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide?
The canonical SMILES for 4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2OC)cc1.
What is the InChIKey of 4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide?
The InChIKey is QEUAISJNULTBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-13-24-23(28)17-7-10-19(11-8-17)25-22(27)6-5-14-30-20-12-9-18(16(2)26)15-21(20)29-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide?
4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide has a molecular weight of 412.49 g/mol, XLogP of 3.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide is sourced from PubChem (CID 55894328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).