2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide

C20H30N2O5 — CID 55750497

IUPAC2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CCCOc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C20H30N2O5/c1-13(2)11-16(20(25)21-4)22-19(24)7-6-10-27-17-9-8-15(14(3)23)12-18(17)26-5/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyKSXQQHWYOAWNEF-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.33
Rot. Bonds11

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

2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide (PubChem CID 55750497) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide
PubChem CID55750497
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CCCOc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C20H30N2O5/c1-13(2)11-16(20(25)21-4)22-19(24)7-6-10-27-17-9-8-15(14(3)23)12-18(17)26-5/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyKSXQQHWYOAWNEF-UHFFFAOYSA-N
XLogP2.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.33
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-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]butanamide
CID 55790441
4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide
CID 51952508
3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776178
4-(4-acetyl-2-methoxyphenoxy)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]butanamide
CID 55738513
4-(4-acetyl-2-methoxyphenoxy)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 55892746
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
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-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide
CID 55759778
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide
CID 113386950
(2R)-2-[4-(3-acetylphenoxy)butanoylamino]-4-methylpentanoic acid
CID 119364270

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide (CID 55750497) is 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(=O)CCCOc1ccc(C(C)=O)cc1OC.
What is the InChIKey of 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide?
The InChIKey is KSXQQHWYOAWNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-13(2)11-16(20(25)21-4)22-19(24)7-6-10-27-17-9-8-15(14(3)23)12-18(17)26-5/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,21,25)(H,22,24).
What are the key properties of 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide?
2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide has a molecular weight of 378.47 g/mol, XLogP of 2.33, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 55750497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).