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Chemical ID: 4182486
Chemical ID:
4182486
Name [?]:
N-(3-acetylphenyl)-3,4-dimethoxy-benzamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C17H17NO4/c1-11(19)12-5-4-6-14(9-12)18-17(20)13-7-8-15(21-2)16(10-13)22-3/h4-10H,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,20,6,5,7,14,15,9,18,2,4,13,8,16,17,11,10,3,12,21,19/rA:22nCCOCCCCCCNCOCCCCCCOCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.11677 |
Area: | 507.168 |
Solvation: | -6.56244 |
Coulombic: | -42.0837 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.39 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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