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Chemical ID: 7493024
Chemical ID:
7493024
Name [?]:
propyl 4-(2-pentoxybenzoyl)aminobenzoate
SMILES [?]:
CCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCCC
InChi [?]:
InChI=1/C22H27NO4/c1-3-5-8-16-26-20-10-7-6-9-19(20)21(24)23-18-13-11-17(12-14-18)22(25)27-15-4-2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,26,3,10,9,4,11,8,18,20,17,21,25,5,19,16,12,7,13,22,15,14,23,6,24/E:(11,12)(13,14)/rA:27nCCCCCOCCCCCCCONCCCCCCCOOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27NO4 |
All Atoms: | 54 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7837 |
Area: | 647.403 |
Solvation: | -4.40138 |
Coulombic: | -50.1622 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 369.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.54 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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