Chemical ID: 6555457

Cc1ccc(c(c1)C)NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C
Chemical ID:
6555457
Name [?]:
(2,4-dimethylphenyl)carbamoylmethyl 4-tert-butylbenzoate
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C21H25NO3/c1-14-6-11-18(15(2)12-14)22-19(23)13-25-20(24)16-7-9-17(10-8-16)21(3,4)5/h6-12H,13H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,23,24,25,3,17,21,18,20,4,7,12,2,6,16,19,5,10,14,22,9,11,15,13/E:(3,4,5)(7,8)(9,10)/rA:25nCCCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;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:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.5846
Area:586.447
Solvation:-3.07656
Coulombic:-42.789
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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Descriptor Annotations

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