Chemical ID: 5383379

CCOc1ccc(cc1)C(=O)OCC(=O)Nc2c(cccc2C(C)C)C(C)C
Chemical ID:
5383379
Name [?]:
(2,6-diisopropylphenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2c(cccc2C(C)C)C(C)C
InChi [?]:
InChI=1/C23H29NO4/c1-6-27-18-12-10-17(11-13-18)23(26)28-14-21(25)24-22-19(15(2)3)8-7-9-20(22)16(4)5/h7-13,15-16H,6,14H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,24,25,27,28,2,20,21,19,6,8,5,9,13,23,26,7,4,22,18,14,17,10,16,15,11,3,12/E:(2,3,4,5)(8,9)(10,11)(12,13)(15,16)(19,20)/rA:28nCCOCCCCCCCOOCCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s18;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29NO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5237
Area:639.126
Solvation:-4.45443
Coulombic:-49.5752
Bond Count [?]
All:29
Single:21
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:383.481
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.42
LogP (Chemaxon):3.85

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Descriptor Annotations

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