Chemical ID: 6146884

CCc1cccc(c1NC(=O)COC(=O)C=Cc2ccc(cc2)OC)CC
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

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Descriptor Annotations

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