propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate

C19H27NO6 — CID 171349786

IUPACpropan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate
SMILESCCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C19H27NO6/c1-4-24-17-11-15(12-19(22)26-14(2)3)5-6-16(17)25-13-18(21)20-7-9-23-10-8-20/h5-6,11,14H,4,7-10,12-13H2,1-3H3
InChIKeyXFIYEVLBTORUDX-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.82
Rot. Bonds8

About propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate

propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate (PubChem CID 171349786) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate
PubChem CID171349786
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Namepropan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate
SMILESCCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C19H27NO6/c1-4-24-17-11-15(12-19(22)26-14(2)3)5-6-16(17)25-13-18(21)20-7-9-23-10-8-20/h5-6,11,14H,4,7-10,12-13H2,1-3H3
InChIKeyXFIYEVLBTORUDX-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
cyanomethyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7969980
2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]propanedinitrile
CID 1075423
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylethanone
CID 62074602
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 78931421
2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 97179268
2-[2-ethoxy-4-[(E)-2-nitroethenyl]phenoxy]-1-morpholin-4-ylethanone
CID 954014
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 97179321
phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 18281736

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate?
The IUPAC name of propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate (CID 171349786) is propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate.
What is the SMILES notation for propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate?
The canonical SMILES for propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate is CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate?
The InChIKey is XFIYEVLBTORUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO6/c1-4-24-17-11-15(12-19(22)26-14(2)3)5-6-16(17)25-13-18(21)20-7-9-23-10-8-20/h5-6,11,14H,4,7-10,12-13H2,1-3H3.
What are the key properties of propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate?
propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate has a molecular weight of 365.43 g/mol, XLogP of 1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate is sourced from PubChem (CID 171349786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).