[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate

C24H27NO6 — CID 7431944

IUPAC[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)CCCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C24H27NO6/c1-3-5-23(28)25-20-11-7-19(8-12-20)22(27)16-31-24(29)6-4-15-30-21-13-9-18(10-14-21)17(2)26/h7-14H,3-6,15-16H2,1-2H3,(H,25,28)
InChIKeyOPHLVWYWCGGDFP-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.21
Rot. Bonds12

About [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate (PubChem CID 7431944) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate.

Molecular Properties

Compound Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
PubChem CID7431944
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)CCCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C24H27NO6/c1-3-5-23(28)25-20-11-7-19(8-12-20)22(27)16-31-24(29)6-4-15-30-21-13-9-18(10-14-21)17(2)26/h7-14H,3-6,15-16H2,1-2H3,(H,25,28)
InChIKeyOPHLVWYWCGGDFP-UHFFFAOYSA-N
XLogP4.21
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 18231230
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7926976
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31657210
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 16556562
N-(4-butoxyphenyl)butanamide
CID 4939679
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 4842334
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide
CID 4270360
[2-(4-acetamidophenyl)-2-oxoethyl] 4-butoxybenzoate
CID 8863260
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55320213

Frequently Asked Questions

What is the IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
The IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate (CID 7431944) is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate.
What is the SMILES notation for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
The canonical SMILES for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate is CCCC(=O)Nc1ccc(C(=O)COC(=O)CCCOc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
The InChIKey is OPHLVWYWCGGDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-3-5-23(28)25-20-11-7-19(8-12-20)22(27)16-31-24(29)6-4-15-30-21-13-9-18(10-14-21)17(2)26/h7-14H,3-6,15-16H2,1-2H3,(H,25,28).
What are the key properties of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate has a molecular weight of 425.48 g/mol, XLogP of 4.21, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate is sourced from PubChem (CID 7431944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).