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Chemical ID: 4412470
Chemical ID:
4412470
Name [?]:
N-[4-(carbamoylmethoxy)phenyl]-3,5-dimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)Nc2ccc(cc2)OCC(=O)N
InChi [?]:
InChI=1/C17H18N2O5/c1-22-14-7-11(8-15(9-14)23-2)17(21)19-12-3-5-13(6-4-12)24-10-16(18)20/h3-9H,10H2,1-2H3,(H2,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,10,15,19,16,18,4,6,8,21,5,14,17,3,7,22,11,24,13,23,12,2,9,20/E:(1,2)(3,4)(5,6)(7,8)(14,15)(22,23)/rA:24nCOCCCCCCOCCONCCCCCCOCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.18825 |
Area: | 547.621 |
Solvation: | -7.50228 |
Coulombic: | -66.1051 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 330.335 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.39 |
LogP (Chemaxon): | 1.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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