N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide

C22H27NO5 — CID 38451172

IUPACN-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C22H27NO5/c1-3-15-27-18-10-8-17(9-11-18)19(24)12-13-22(25)23-14-16-28-21-7-5-4-6-20(21)26-2/h4-11H,3,12-16H2,1-2H3,(H,23,25)
InChIKeyADOIQIFPEIKPIX-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.64
Rot. Bonds12

About N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide

N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 38451172) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID38451172
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C22H27NO5/c1-3-15-27-18-10-8-17(9-11-18)19(24)12-13-22(25)23-14-16-28-21-7-5-4-6-20(21)26-2/h4-11H,3,12-16H2,1-2H3,(H,23,25)
InChIKeyADOIQIFPEIKPIX-UHFFFAOYSA-N
XLogP3.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.64
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

4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 21487435
N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78796002
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 38455868
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 3647692
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 43009505
N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide
CID 7978312

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide (CID 38451172) is N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NCCOc2ccccc2OC)cc1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is ADOIQIFPEIKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-3-15-27-18-10-8-17(9-11-18)19(24)12-13-22(25)23-14-16-28-21-7-5-4-6-20(21)26-2/h4-11H,3,12-16H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 385.46 g/mol, XLogP of 3.64, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 38451172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).