(4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate

C20H22N2O4 — CID 14857757

IUPAC(4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4/c1-15(23)21-17-6-8-18(9-7-17)26-20(24)19-5-3-2-4-16(19)14-22-10-12-25-13-11-22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyHZZPMOHKNWCZFQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.70
Rot. Bonds5

About (4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate

(4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate (PubChem CID 14857757) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate
PubChem CID14857757
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4/c1-15(23)21-17-6-8-18(9-7-17)26-20(24)19-5-3-2-4-16(19)14-22-10-12-25-13-11-22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyHZZPMOHKNWCZFQ-UHFFFAOYSA-N
XLogP2.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate 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

CID 131887032
CID 131887032
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
1-(4-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
CID 8599945
(E)-N-methoxy-1-[2-(morpholin-4-ylmethyl)phenyl]ethanimine
CID 90882108
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
(4-acetamidophenyl) 2-phenoxybenzoate
CID 26188165
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101
(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate
CID 37325010
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012077

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of (4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate (CID 14857757) is (4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for (4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for (4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate is CC(=O)Nc1ccc(OC(=O)c2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate?
The InChIKey is HZZPMOHKNWCZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-15(23)21-17-6-8-18(9-7-17)26-20(24)19-5-3-2-4-16(19)14-22-10-12-25-13-11-22/h2-9H,10-14H2,1H3,(H,21,23).
What are the key properties of (4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate?
(4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate has a molecular weight of 354.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 14857757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).