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Chemical ID: 7481301
Chemical ID:
7481301
Name [?]:
N-(4-carbamoylphenyl)-4-pentoxy-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N
InChi [?]:
InChI=1/C19H22N2O3/c1-2-3-4-13-24-17-11-7-15(8-12-17)19(23)21-16-9-5-14(6-10-16)18(20)22/h5-12H,2-4,13H2,1H3,(H2,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,18,20,9,11,17,21,8,12,5,19,10,16,7,22,13,24,15,23,14,6/E:(5,6)(7,8)(9,10)(11,12)/rA:24nCCCCCOCCCCCCCONCCCCCCCON/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O3 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.51 |
Area: | 577.363 |
Solvation: | -3.92411 |
Coulombic: | -56.1906 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 326.39 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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