Chemical ID: 6902056

CCc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C
Chemical ID:
6902056
Name [?]:
(4-ethylphenyl)carbamoylmethyl 4-tert-butylbenzoate
SMILES [?]:
CCc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C21H25NO3/c1-5-15-6-12-18(13-7-15)22-19(23)14-25-20(24)16-8-10-17(11-9-16)21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,2,4,8,17,21,18,20,5,7,12,3,16,19,6,10,14,22,9,11,15,13/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:25nCCCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO3
All Atoms:50
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.6501
Area:589.285
Solvation:-3.08205
Coulombic:-43.2161
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:339.428
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.41
LogP (Chemaxon):5.17

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Descriptor Annotations

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