[4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate

C21H24N2O5 — CID 54503874

IUPAC[4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate
SMILESCCN(CC)CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1
InChIInChI=1S/C21H24N2O5/c1-4-23(5-2)14-20(25)22-16-10-12-17(13-11-16)28-21(26)18-8-6-7-9-19(18)27-15(3)24/h6-13H,4-5,14H2,1-3H3,(H,22,25)
InChIKeyYEIPRVUSJUCZNP-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.11
Rot. Bonds8

About [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate

[4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate (PubChem CID 54503874) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate.

Molecular Properties

Compound Name[4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate
PubChem CID54503874
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate
SMILESCCN(CC)CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1
InChIInChI=1S/C21H24N2O5/c1-4-23(5-2)14-20(25)22-16-10-12-17(13-11-16)28-21(26)18-8-6-7-9-19(18)27-15(3)24/h6-13H,4-5,14H2,1-3H3,(H,22,25)
InChIKeyYEIPRVUSJUCZNP-UHFFFAOYSA-N
XLogP3.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate 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

[4-(chloromethyl)phenyl] 2-acetyloxybenzoate
CID 10859700
(4-acetamidophenyl) 2-phenoxybenzoate
CID 26188165
[4-(propanoylamino)phenyl] 2-fluorobenzoate
CID 17087286
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012077
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705
N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate
CID 69490317
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate?
The IUPAC name of [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate (CID 54503874) is [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate.
What is the SMILES notation for [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate?
The canonical SMILES for [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate is CCN(CC)CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1.
What is the InChIKey of [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate?
The InChIKey is YEIPRVUSJUCZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-23(5-2)14-20(25)22-16-10-12-17(13-11-16)28-21(26)18-8-6-7-9-19(18)27-15(3)24/h6-13H,4-5,14H2,1-3H3,(H,22,25).
What are the key properties of [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate?
[4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate has a molecular weight of 384.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate is sourced from PubChem (CID 54503874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).