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Chemical ID: 6884068
Chemical ID:
6884068
Name [?]:
4-(o-tolylcarbamoylmethoxy)-N-phenethyl-benzamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2ccc(cc2)C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C24H24N2O3/c1-18-7-5-6-10-22(18)26-23(27)17-29-21-13-11-20(12-14-21)24(28)25-16-15-19-8-3-2-4-9-19/h2-14H,15-17H2,1H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,4,5,3,25,29,6,15,17,14,18,23,22,11,2,24,16,13,7,9,19,21,8,10,20,12/E:(3,4)(8,9)(11,12)(13,14)/rA:29nCCCCCCCNCOCOCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1946 |
Area: | 659.088 |
Solvation: | -5.28261 |
Coulombic: | -51.909 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 388.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.17 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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