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Chemical ID: 4930488
Chemical ID:
4930488
Name [?]:
N-[1-[1-(methylcarbamoyl)ethylcarbamoyl]-2-phenyl-ethyl]benzamide
SMILES [?]:
CC(C(=O)NC)NC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C20H23N3O3/c1-14(18(24)21-2)22-20(26)17(13-15-9-5-3-6-10-15)23-19(25)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,6,15,24,14,16,23,25,13,17,22,26,11,2,12,21,10,3,19,8,5,7,18,4,20,9/E:(5,6)(7,8)(9,10)(11,12)/rA:26cCCCONCNCOCCCCCCCCNCOCCCCCC/rB:s1;s2;d3;s3;s5;s2;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.7503 |
Area: | 575.984 |
Solvation: | -3.64928 |
Coulombic: | -66.6364 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 353.415 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.27 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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