(1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate

C19H27NO6 — CID 55326204

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OC(C)C(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C19H27NO6/c1-4-10-25-16-7-6-15(13-17(16)24-5-2)19(22)26-14(3)18(21)20-8-11-23-12-9-20/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeyFEJYBRXXRQHHCJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.28
Rot. Bonds8

About (1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate

(1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate (PubChem CID 55326204) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate
PubChem CID55326204
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OC(C)C(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C19H27NO6/c1-4-10-25-16-7-6-15(13-17(16)24-5-2)19(22)26-14(3)18(21)20-8-11-23-12-9-20/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeyFEJYBRXXRQHHCJ-UHFFFAOYSA-N
XLogP2.28
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2667445
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501968
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2667441
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 8740355
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate
CID 2540833
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2395851
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 93472955
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 42975825
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 55316250
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate (CID 55326204) is (1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OC(C)C(=O)N2CCOCC2)cc1OCC.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate?
The InChIKey is FEJYBRXXRQHHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO6/c1-4-10-25-16-7-6-15(13-17(16)24-5-2)19(22)26-14(3)18(21)20-8-11-23-12-9-20/h6-7,13-14H,4-5,8-12H2,1-3H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate has a molecular weight of 365.43 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate is sourced from PubChem (CID 55326204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).