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Chemical ID: 7331177
Chemical ID:
7331177
Name [?]:
morpholinocarbonylmethyl 4-acetamidobenzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N2CCOCC2
InChi [?]:
InChI=1/C15H18N2O5/c1-11(18)16-13-4-2-12(3-5-13)15(20)22-10-14(19)17-6-8-21-9-7-17/h2-5H,6-10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,9,6,10,18,22,19,21,14,2,8,5,15,11,4,17,3,16,12,20,13/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCONCCCCCCCOOCCONCCOCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O5 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35785 |
Area: | 521.463 |
Solvation: | -5.67872 |
Coulombic: | -62.2595 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 306.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 0.13 |
LogP (Chemaxon): | -0.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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