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Chemical ID: 4144295
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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