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Chemical ID: 7471672
Chemical ID:
7471672
Name [?]:
2-acetamido-N-benzyl-3-(3,4-dimethoxyphenyl)-N-methyl-prop-2-enamide
SMILES [?]:
CC(=O)NC(=Cc1ccc(c(c1)OC)OC)C(=O)N(C)Cc2ccccc2
InChi [?]:
InChI=1/C21H24N2O4/c1-15(24)22-18(12-17-10-11-19(26-3)20(13-17)27-4)21(25)23(2)14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,20,16,14,25,24,26,23,27,8,9,6,12,21,2,22,7,5,10,11,17,4,19,3,18,15,13/E:(6,7)(8,9)/rA:27nCCONCCCCCCCCOCOCCONCCCCCCCC/rB:s1;d2;s2;s4;w5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s5;d17;s17;s19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O4 |
All Atoms: | 51 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.96483 |
Area: | 583.68 |
Solvation: | -7.62717 |
Coulombic: | -51.1649 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 368.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.69 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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