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Chemical ID: 6146884
Chemical ID:
6146884
Name [?]:
(2,6-diethylphenyl)carbamoylmethyl 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
CCc1cccc(c1NC(=O)COC(=O)C=Cc2ccc(cc2)OC)CC
InChi [?]:
InChI=1/C22H25NO4/c1-4-17-7-6-8-18(5-2)22(17)23-20(24)15-27-21(25)14-11-16-9-12-19(26-3)13-10-16/h6-14H,4-5,15H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,25,2,26,5,4,6,19,23,17,20,22,16,12,18,3,7,21,10,14,8,9,11,15,24,13/E:(1,2)(4,5)(7,8)(9,10)(12,13)(17,18)/rA:27nCCCCCCCCNCOCOCOCCCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s7;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.203 |
Area: | 607.487 |
Solvation: | -4.98421 |
Coulombic: | -48.4836 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 367.438 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.26 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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