Chemical ID: 6555816

Cc1ccc(c(c1)NC(=O)COC(=O)c2cc(cc(c2)C(C)(C)C)C(C)(C)C)C
Chemical ID:
6555816
Name [?]:
(2,5-dimethylphenyl)carbamoylmethyl 3,5-ditert-butylbenzoate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COC(=O)c2cc(cc(c2)C(C)(C)C)C(C)(C)C)C
InChi [?]:
InChI=1/C25H33NO3/c1-16-9-10-17(2)21(11-16)26-22(27)15-29-23(28)18-12-19(24(3,4)5)14-20(13-18)25(6,7)8/h9-14H,15H2,1-8H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,29,22,23,24,26,27,28,3,4,7,20,16,18,11,2,5,15,19,17,6,9,13,21,25,8,10,14,12/E:(3,4,5,6,7,8)(12,13)(19,20)(24,25)/rA:29nCCCCCCCNCOCOCOCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;s17;s25;s25;s25;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H33NO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.3635
Area:655.681
Solvation:-3.02851
Coulombic:-43.5293
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:395.534
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.99
LogP (Chemaxon):6.21

Name Annotations

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Descriptor Annotations

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