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Chemical ID: 6876159
Chemical ID:
6876159
Name [?]:
4-[(2,5-dimethylphenyl)carbamoylmethoxy]-N-(2-methoxyphenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccccc3OC)C
InChi [?]:
InChI=1/C24H24N2O4/c1-16-8-9-17(2)21(14-16)25-23(27)15-30-19-12-10-18(11-13-19)24(28)26-20-6-4-5-7-22(20)29-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,29,24,25,23,26,3,4,15,17,14,18,7,11,2,5,16,13,22,6,27,9,19,8,21,10,20,28,12/E:(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;s27;s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2508 |
Area: | 653.658 |
Solvation: | -6.09062 |
Coulombic: | -57.9185 |
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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