2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid

C21H21NO7 — CID 143783722

IUPAC2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid
SMILESO=C(OCCOc1ccccc1)c1ccc(C(=O)O)c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C21H21NO7/c23-19(22-8-10-27-11-9-22)18-14-15(6-7-17(18)20(24)25)21(26)29-13-12-28-16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,24,25)
InChIKeyQWRMROUNWKMXFB-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.09
Rot. Bonds7

About 2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid

2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid (PubChem CID 143783722) has the molecular formula C21H21NO7 and a molecular weight of 399.40 g/mol. Its IUPAC name is 2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid.

Molecular Properties

Compound Name2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid
PubChem CID143783722
Molecular FormulaC21H21NO7
Molecular Weight399.40 g/mol
Exact Mass399.13
IUPAC Name2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid
SMILESO=C(OCCOc1ccccc1)c1ccc(C(=O)O)c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C21H21NO7/c23-19(22-8-10-27-11-9-22)18-14-15(6-7-17(18)20(24)25)21(26)29-13-12-28-16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,24,25)
InChIKeyQWRMROUNWKMXFB-UHFFFAOYSA-N
XLogP2.09
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.09
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

bis(2-phenoxyethyl) benzene-1,2-dicarboxylate;bis(2-phenoxyethyl) benzene-1,3-dicarboxylate
CID 167602955
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
4-[2-(5-carboxypentanoyloxy)ethoxycarbonyl]phthalic acid
CID 68842970
2-phenoxyethyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513690
N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955233
2-phenoxyethyl 3-sulfanylbenzoate
CID 107018511
(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607617
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675
[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55844203
2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 7699330
2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate
CID 167823575
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097

Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid?
The IUPAC name of 2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid (CID 143783722) is 2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid.
What is the SMILES notation for 2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid?
The canonical SMILES for 2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid is O=C(OCCOc1ccccc1)c1ccc(C(=O)O)c(C(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid?
The InChIKey is QWRMROUNWKMXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO7/c23-19(22-8-10-27-11-9-22)18-14-15(6-7-17(18)20(24)25)21(26)29-13-12-28-16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,24,25).
What are the key properties of 2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid?
2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid has a molecular weight of 399.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonyl)-4-(2-phenoxyethoxycarbonyl)benzoic acid is sourced from PubChem (CID 143783722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).