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Chemical ID: 5110913
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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