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Chemical ID: 7264081
Chemical ID:
7264081
Name [?]:
N-[4-[(3,5-dimethoxyphenyl)carbamoylmethoxy]phenyl]benzamide
SMILES [?]:
COc1cc(cc(c1)OC)NC(=O)COc2ccc(cc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O5/c1-28-20-12-18(13-21(14-20)29-2)24-22(26)15-30-19-10-8-17(9-11-19)25-23(27)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,10,28,27,29,26,30,18,20,17,21,4,6,8,14,25,19,5,16,3,7,12,23,11,22,13,24,2,9,15/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(28,29)/rA:30nCOCCCCCCOCNCOCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O5 |
All Atoms: | 52 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4111 |
Area: | 653.913 |
Solvation: | -7.93671 |
Coulombic: | -62.9607 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 406.431 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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