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Chemical ID: 6876157
Chemical ID:
6876157
Name [?]:
4-[(2,5-dimethylphenyl)carbamoylmethoxy]-N-(4-methoxyphenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)OC)C
InChi [?]:
InChI=1/C24H24N2O4/c1-16-4-5-17(2)22(14-16)26-23(27)15-30-21-10-6-18(7-11-21)24(28)25-19-8-12-20(29-3)13-9-19/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,30,29,3,4,15,17,23,27,14,18,24,26,7,11,2,5,16,22,25,13,6,9,19,21,8,10,20,28,12/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCCCCNCOCOCCCCCCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0319 |
Area: | 657.996 |
Solvation: | -6.41796 |
Coulombic: | -56.6746 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 404.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.22 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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