Chemical ID: 7505858

CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C(C)CC
Chemical ID:
7505858
Name [?]:
propyl 4-[2-(4-sec-butylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C(C)CC
InChi [?]:
InChI=1/C22H27NO4/c1-4-14-26-22(25)18-6-10-19(11-7-18)23-21(24)15-27-20-12-8-17(9-13-20)16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,25,2,26,8,12,20,22,9,11,19,23,3,16,24,21,7,10,18,14,5,13,15,6,4,17/E:(6,7)(8,9)(10,11)(12,13)/rA:27cCCCOCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27NO4
All Atoms:54
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.4414
Area:646.071
Solvation:-4.71042
Coulombic:-49.8447
Bond Count [?]
All:28
Single:20
Double:8
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:369.454
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.37
LogP (Chemaxon):4.82

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Descriptor Annotations

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