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Chemical ID: 7348372
Chemical ID:
7348372
Name [?]:
4-[2-(o-tolylcarbamoylmethyl-propyl-amino)acetyl]aminobenzamide
SMILES [?]:
CCCN(CC(=O)Nc1ccc(cc1)C(=O)N)CC(=O)Nc2ccccc2C
InChi [?]:
InChI=1/C21H26N4O3/c1-3-12-25(14-20(27)24-18-7-5-4-6-15(18)2)13-19(26)23-17-10-8-16(9-11-17)21(22)28/h4-11H,3,12-14H2,1-2H3,(H2,22,28)(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,28,2,25,24,26,23,11,13,10,14,3,5,18,27,12,9,22,6,19,15,17,8,21,4,7,20,16/E:(8,9)(10,11)/rA:28cCCCNCCONCCCCCCCONCCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s4;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N4O3 |
All Atoms: | 54 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.234 |
Area: | 638.797 |
Solvation: | -5.73594 |
Coulombic: | -71.1055 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 382.456 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 1.43 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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