Chemical ID: 6565258

CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)C(C)C
Chemical ID:
6565258
Name [?]:
(4-isopropylphenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C20H23NO4/c1-4-24-18-11-7-16(8-12-18)20(23)25-13-19(22)21-17-9-5-15(6-10-17)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,19,21,6,8,18,22,5,9,13,23,20,7,17,4,14,10,16,15,11,3,12/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:25nCCOCCCCCCCOOCCONCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.437
Area:595.662
Solvation:-4.45457
Coulombic:-49.03
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:341.401
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.44
LogP (Chemaxon):3.96

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Descriptor Annotations

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