5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide

C23H29NO4 — CID 55972820

IUPAC5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C23H29NO4/c1-18-8-12-21(13-9-18)28-17-4-3-16-24-23(26)7-5-6-22(25)19-10-14-20(27-2)15-11-19/h8-15H,3-7,16-17H2,1-2H3,(H,24,26)
InChIKeyVSIFZGJUMBATIP-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.33
Rot. Bonds12

About 5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide

5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide (PubChem CID 55972820) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
PubChem CID55972820
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C23H29NO4/c1-18-8-12-21(13-9-18)28-17-4-3-16-24-23(26)7-5-6-22(25)19-10-14-20(27-2)15-11-19/h8-15H,3-7,16-17H2,1-2H3,(H,24,26)
InChIKeyVSIFZGJUMBATIP-UHFFFAOYSA-N
XLogP4.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110617824
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55751256
N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide
CID 171817090
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713
2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone
CID 82101214

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide (CID 55972820) is 5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NCCCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide?
The InChIKey is VSIFZGJUMBATIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-18-8-12-21(13-9-18)28-17-4-3-16-24-23(26)7-5-6-22(25)19-10-14-20(27-2)15-11-19/h8-15H,3-7,16-17H2,1-2H3,(H,24,26).
What are the key properties of 5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide?
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide has a molecular weight of 383.49 g/mol, XLogP of 4.33, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide is sourced from PubChem (CID 55972820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).