3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

C15H19NO6 — CID 5169130

IUPAC3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H19NO6/c1-2-21-13-9-11(15(18)19)3-4-12(13)22-10-14(17)16-5-7-20-8-6-16/h3-4,9H,2,5-8,10H2,1H3,(H,18,19)
InChIKeySQSVKVRFAMTGKB-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.02
Rot. Bonds6

About 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (PubChem CID 5169130) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
PubChem CID5169130
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H19NO6/c1-2-21-13-9-11(15(18)19)3-4-12(13)22-10-14(17)16-5-7-20-8-6-16/h3-4,9H,2,5-8,10H2,1H3,(H,18,19)
InChIKeySQSVKVRFAMTGKB-UHFFFAOYSA-N
XLogP1.02
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
cyanomethyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7969980
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 18281736
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
2-[4-(2,3-dihydroindole-1-carbonyl)-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 8012463
[(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7485301
2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]propanedinitrile
CID 1075423
propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate
CID 171349786
2-[2-ethoxy-4-[(E)-2-nitroethenyl]phenoxy]-1-morpholin-4-ylethanone
CID 954014
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
(Z)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide
CID 7276228

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The IUPAC name of 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (CID 5169130) is 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.
What is the SMILES notation for 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The canonical SMILES for 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is CCOc1cc(C(=O)O)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The InChIKey is SQSVKVRFAMTGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c1-2-21-13-9-11(15(18)19)3-4-12(13)22-10-14(17)16-5-7-20-8-6-16/h3-4,9H,2,5-8,10H2,1H3,(H,18,19).
What are the key properties of 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid has a molecular weight of 309.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is sourced from PubChem (CID 5169130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).