Chemical ID: 4144295

CCCOC(=O)c1cccc(c1)NC(=O)COc2ccc(cc2)C(C)C
Chemical ID:
4144295
Name [?]:
propyl 3-[2-(4-isopropylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCOC(=O)c1cccc(c1)NC(=O)COc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C21H25NO4/c1-4-12-25-21(24)17-6-5-7-18(13-17)22-20(23)14-26-19-10-8-16(9-11-19)15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,26,2,9,8,10,20,22,19,23,3,12,16,24,21,7,11,18,14,5,13,15,6,4,17/E:(2,3)(8,9)(10,11)/rA:26nCCCOCOCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.617
Area:619.402
Solvation:-4.86808
Coulombic:-49.3131
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:355.428
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.8
LogP (Chemaxon):4.43

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