(2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate

C24H27NO6 — CID 7222142

IUPAC(2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate
SMILESCCCCCOc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H27NO6/c1-2-3-7-16-30-20-12-10-18(11-13-20)21(26)14-15-23(28)31-17-22(27)25-24(29)19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-17H2,1H3,(H,25,27,29)
InChIKeyMPJCTENACVCDCW-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.72
Rot. Bonds12

About (2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate

(2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate (PubChem CID 7222142) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate
PubChem CID7222142
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name(2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate
SMILESCCCCCOc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H27NO6/c1-2-3-7-16-30-20-12-10-18(11-13-20)21(26)14-15-23(28)31-17-22(27)25-24(29)19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-17H2,1H3,(H,25,27,29)
InChIKeyMPJCTENACVCDCW-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42966217
[2-(tert-butylamino)-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 55307331
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 55401021
hexyl 4-oxo-4-phenylbutanoate
CID 12510433
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 3467304
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 16958483
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 27957877
4-dodecoxy-N-tridecanoylbenzamide
CID 14273876
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42984941

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate (CID 7222142) is (2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate is CCCCCOc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate?
The InChIKey is MPJCTENACVCDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-2-3-7-16-30-20-12-10-18(11-13-20)21(26)14-15-23(28)31-17-22(27)25-24(29)19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-17H2,1H3,(H,25,27,29).
What are the key properties of (2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate?
(2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate has a molecular weight of 425.48 g/mol, XLogP of 3.72, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate is sourced from PubChem (CID 7222142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).