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Chemical ID: 5976003
Chemical ID:
5976003
Name [?]:
N-benzyl-2-dimethylamino-5-(4-methoxybenzoyl)amino-benzamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)NCc2ccccc2)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C24H25N3O3/c1-27(2)22-14-11-19(26-23(28)18-9-12-20(30-3)13-10-18)15-21(22)24(29)25-16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,30,17,16,18,15,19,24,28,6,25,27,5,8,13,14,23,7,26,9,4,21,10,12,20,2,22,11,29/E:(1,2)(5,6)(7,8)(9,10)(12,13)/rA:30nCNCCCCCCCCONCCCCCCCNCOCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s7;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.092 |
Area: | 656.174 |
Solvation: | -5.31235 |
Coulombic: | -57.1709 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 403.474 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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