[(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate

C18H24N2O5 — CID 167909828

IUPAC[(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate
SMILESC[C@@H](COC(=O)c1cccc(N2CCOCC2=O)c1)N1CCOCC1
InChIInChI=1S/C18H24N2O5/c1-14(19-5-8-23-9-6-19)12-25-18(22)15-3-2-4-16(11-15)20-7-10-24-13-17(20)21/h2-4,11,14H,5-10,12-13H2,1H3/t14-/m0/s1
InChIKeyCDTUMPNMQZHAFU-AWEZNQCLSA-N
MW348.40 g/mol
LogP0.93
Rot. Bonds5

About [(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate

[(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate (PubChem CID 167909828) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate.

Molecular Properties

Compound Name[(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate
PubChem CID167909828
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate
SMILESC[C@@H](COC(=O)c1cccc(N2CCOCC2=O)c1)N1CCOCC1
InChIInChI=1S/C18H24N2O5/c1-14(19-5-8-23-9-6-19)12-25-18(22)15-3-2-4-16(11-15)20-7-10-24-13-17(20)21/h2-4,11,14H,5-10,12-13H2,1H3/t14-/m0/s1
InChIKeyCDTUMPNMQZHAFU-AWEZNQCLSA-N
XLogP0.93
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate with MolForge

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Related Compounds

methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
[2-(2-methylpropylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727172
4,10,16,22-tetrakis(3-methylphenyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-3,11,15,23-tetrone
CID 100991495
4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one
CID 165482189
[(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 100724027
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
2-morpholin-4-ylpropyl 2-methylpropanoate
CID 131966450
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727903
tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate
CID 67222708
(2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204669
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134053109

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate?
The IUPAC name of [(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate (CID 167909828) is [(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate.
What is the SMILES notation for [(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate?
The canonical SMILES for [(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate is C[C@@H](COC(=O)c1cccc(N2CCOCC2=O)c1)N1CCOCC1.
What is the InChIKey of [(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate?
The InChIKey is CDTUMPNMQZHAFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-14(19-5-8-23-9-6-19)12-25-18(22)15-3-2-4-16(11-15)20-7-10-24-13-17(20)21/h2-4,11,14H,5-10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate?
[(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate has a molecular weight of 348.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate is sourced from PubChem (CID 167909828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).