(4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate

C21H23NO5 — CID 42965639

IUPAC(4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-2-26-18-12-10-17(11-13-18)21(25)22-15-20(24)27-14-6-9-19(23)16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3,(H,22,25)
InChIKeyLXCSWDYWFQCHMK-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.02
Rot. Bonds10

About (4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate

(4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 42965639) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID42965639
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-2-26-18-12-10-17(11-13-18)21(25)22-15-20(24)27-14-6-9-19(23)16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3,(H,22,25)
InChIKeyLXCSWDYWFQCHMK-UHFFFAOYSA-N
XLogP3.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenoxypropyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 55568498
3-(4-fluorophenoxy)propyl 2-benzamidoacetate
CID 7889609
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 134046513
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884828
benzhydryl 2-[(4-butoxybenzoyl)amino]acetate
CID 7905876
[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561

Frequently Asked Questions

What is the IUPAC name of (4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of (4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate (CID 42965639) is (4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCCCC(=O)c2ccccc2)cc1.
What is the InChIKey of (4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is LXCSWDYWFQCHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-2-26-18-12-10-17(11-13-18)21(25)22-15-20(24)27-14-6-9-19(23)16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3,(H,22,25).
What are the key properties of (4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate?
(4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 369.42 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 42965639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).