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Chemical ID: 5920401
Chemical ID:
5920401
Name [?]:
2-ethyl-N-isopropyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)butanamide
SMILES [?]:
CCC(CC)C(=O)N(CC(=O)NCC(=O)Nc1ccc(cc1)C)C(C)C
InChi [?]:
InChI=1/C20H31N3O3/c1-6-16(7-2)20(26)23(14(3)4)13-19(25)21-12-18(24)22-17-10-8-15(5)9-11-17/h8-11,14,16H,6-7,12-13H2,1-5H3,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,25,26,23,2,4,19,21,18,22,13,9,24,20,3,17,14,10,6,12,16,8,15,11,7/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:26nCCCCCCONCCONCCONCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s8;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H31N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2408 |
Area: | 607.279 |
Solvation: | -3.94115 |
Coulombic: | -58.3161 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 361.479 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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