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Chemical ID: 7007146
Chemical ID:
7007146
Name [?]:
N-(4-aminophenyl)-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Nc2ccc(cc2)N
InChi [?]:
InChI=1/C16H18N2O4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-6-4-11(17)5-7-12/h4-9H,17H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,12,10,18,20,17,21,4,6,5,19,16,3,7,8,13,22,15,14,2,11,9/E:(1,2)(4,5)(6,7)(8,9)(13,14)(20,21)/rA:22nCOCCCCCCOCOCCONCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O4 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.02461 |
Area: | 504.427 |
Solvation: | -6.58606 |
Coulombic: | -58.1289 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 302.325 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.1 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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