Chemical ID: 6876033

CCOc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C
Chemical ID:
6876033
Name [?]:
(4-ethoxyphenyl)carbamoylmethyl 4-tert-butylbenzoate
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C21H25NO4/c1-5-25-18-12-10-17(11-13-18)22-19(23)14-26-20(24)15-6-8-16(9-7-15)21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,26,2,18,22,19,21,6,8,5,9,13,17,20,7,4,11,15,23,10,12,16,3,14/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:26nCCOCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO4
All Atoms:51
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9811
Area:608.845
Solvation:-4.23998
Coulombic:-49.5653
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:355.428
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.85
LogP (Chemaxon):4.39

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Descriptor Annotations

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