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Chemical ID: 7283964
Chemical ID:
7283964
Name [?]:
3-acetamido-N-(4-sec-butylphenyl)-benzamide
SMILES [?]:
CCC(C)c1ccc(cc1)NC(=O)c2cccc(c2)NC(=O)C
InChi [?]:
InChI=1/C19H22N2O2/c1-4-13(2)15-8-10-17(11-9-15)21-19(23)16-6-5-7-18(12-16)20-14(3)22/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,4,23,2,16,15,17,6,10,7,9,19,3,21,5,14,8,18,12,20,11,22,13/E:(8,9)(10,11)/rA:23cCCCCCCCCCCNCOCCCCCCNCOC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O2 |
All Atoms: | 45 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2681 |
Area: | 542.256 |
Solvation: | -3.28829 |
Coulombic: | -41.9743 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 310.39 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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