Chemical ID: 6876111

Cc1ccc(c(c1)NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C)C
Chemical ID:
6876111
Name [?]:
(2,5-dimethylphenyl)carbamoylmethyl 4-tert-butylbenzoate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C)C
InChi [?]:
InChI=1/C21H25NO3/c1-14-6-7-15(2)18(12-14)22-19(23)13-25-20(24)16-8-10-17(11-9-16)21(3,4)5/h6-12H,13H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,22,23,24,3,4,16,20,17,19,7,11,2,5,15,18,6,9,13,21,8,10,14,12/E:(3,4,5)(8,9)(10,11)/rA:25nCCCCCCCNCOCOCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO3
All Atoms:50
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4832
Area:581.836
Solvation:-3.06265
Coulombic:-42.8457
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.428
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.18
LogP (Chemaxon):4.59

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