Chemical ID: 4150819

CCOCCOC(=O)c1ccc(cc1)NC(=O)COc2cc(ccc2C(C)C)C
Chemical ID:
4150819
Name [?]:
2-ethoxyethyl 4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOCCOC(=O)c1ccc(cc1)NC(=O)COc2cc(ccc2C(C)C)C
InChi [?]:
InChI=1/C23H29NO5/c1-5-27-12-13-28-23(26)18-7-9-19(10-8-18)24-22(25)15-29-21-14-17(4)6-11-20(21)16(2)3/h6-11,14,16H,5,12-13,15H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,2,23,10,14,11,13,24,4,5,21,18,26,22,9,12,25,20,16,7,15,17,8,3,6,19/E:(2,3)(7,8)(9,10)/rA:29nCCOCCOCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s26;s26;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29NO5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.6951
Area:687.995
Solvation:-6.50476
Coulombic:-56.3525
Bond Count [?]
All:30
Single:22
Double:8
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:399.48
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.47
LogP (Chemaxon):4.26

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Descriptor Annotations

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