4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide

C20H22ClNO5 — CID 32518368

IUPAC4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
SMILESCOCCOc1cc(NC(=O)CCC(=O)c2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C20H22ClNO5/c1-25-11-12-27-19-13-16(7-9-18(19)26-2)22-20(24)10-8-17(23)14-3-5-15(21)6-4-14/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,24)
InChIKeyWEHHIIPYPMTRFS-UHFFFAOYSA-N
MW391.85 g/mol
LogP3.98
Rot. Bonds10

About 4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide (PubChem CID 32518368) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
PubChem CID32518368
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Name4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
SMILESCOCCOc1cc(NC(=O)CCC(=O)c2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C20H22ClNO5/c1-25-11-12-27-19-13-16(7-9-18(19)26-2)22-20(24)10-8-17(23)14-3-5-15(21)6-4-14/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,24)
InChIKeyWEHHIIPYPMTRFS-UHFFFAOYSA-N
XLogP3.98
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 53.98
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

N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
2,6-dichloro-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 86930838
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
2-(4-chloro-2-methylphenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 55624317
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide
CID 108796869

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide (CID 32518368) is 4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide is COCCOc1cc(NC(=O)CCC(=O)c2ccc(Cl)cc2)ccc1OC.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide?
The InChIKey is WEHHIIPYPMTRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-25-11-12-27-19-13-16(7-9-18(19)26-2)22-20(24)10-8-17(23)14-3-5-15(21)6-4-14/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide has a molecular weight of 391.85 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide is sourced from PubChem (CID 32518368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).