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Chemical ID: 6006583
Chemical ID:
6006583
Name [?]:
N-cyclopropyl-3-phenyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)propanamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CNC(=O)CN(C2CC2)C(=O)CCc3ccccc3
InChi [?]:
InChI=1/C23H27N3O3/c1-17-7-10-19(11-8-17)25-21(27)15-24-22(28)16-26(20-12-13-20)23(29)14-9-18-5-3-2-4-6-18/h2-8,10-11,20H,9,12-16H2,1H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,25,29,3,7,23,4,6,18,19,22,11,15,2,24,5,17,9,13,20,12,8,16,10,14,21/E:(3,4)(5,6)(7,8)(10,11)(12,13)/rA:29nCCCCCCCNCOCNCOCNCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s17s18;s16;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2397 |
Area: | 669.091 |
Solvation: | -4.48754 |
Coulombic: | -58.3864 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 393.479 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.44 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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