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Chemical ID: 6006571
Chemical ID:
6006571
Name [?]:
N-cyclopropyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CNC(=O)CN(C2CC2)C(=O)C
InChi [?]:
InChI=1/C16H21N3O3/c1-11-3-5-13(6-4-11)18-15(21)9-17-16(22)10-19(12(2)20)14-7-8-14/h3-6,14H,7-10H2,1-2H3,(H,17,22)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,22,3,7,4,6,18,19,11,15,2,20,5,17,9,13,12,8,16,21,10,14/E:(3,4)(5,6)(7,8)/rA:22nCCCCCCCNCOCNCOCNCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s17s18;s16;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21N3O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01032 |
Area: | 532.89 |
Solvation: | -4.31193 |
Coulombic: | -55.8978 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 303.356 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.74 |
LogP (Chemaxon): | 0.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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