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Chemical ID: 6565258
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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