Chemical ID: 5110913

COC(=O)c1ccc(cc1)NC(=O)CCN2CCOCC2
Chemical ID:
5110913
Name [?]:
methyl 4-(3-morpholinopropanoylamino)benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)CCN2CCOCC2
InChi [?]:
InChI=1/C15H20N2O4/c1-20-15(19)12-2-4-13(5-3-12)16-14(18)6-7-17-8-10-21-11-9-17/h2-5H,6-11H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,6,10,7,9,14,15,17,21,18,20,5,8,12,3,11,16,13,4,2,19/E:(2,3)(4,5)(8,9)(10,11)/rA:21nCOCOCCCCCCNCOCCNCCOCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.25467
Area:508.679
Solvation:-4.46232
Coulombic:-52.0402
Bond Count [?]
All:22
Single:17
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:292.33
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.5
LogP (Chemaxon):0.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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