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Chemical ID: 6006568
Chemical ID:
6006568
Name [?]:
N-cyclopropyl-2-methyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)propanamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CNC(=O)CN(C2CC2)C(=O)C(C)C
InChi [?]:
InChI=1/C18H25N3O3/c1-12(2)18(24)21(15-8-9-15)11-17(23)19-10-16(22)20-14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H,19,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:23,24,1,3,7,4,6,18,19,11,15,22,2,5,17,9,13,20,12,8,16,10,14,21/E:(1,2)(4,5)(6,7)(8,9)/rA:24nCCCCCCCNCOCNCOCNCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s17s18;s16;d20;s20;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74659 |
Area: | 558.487 |
Solvation: | -4.21558 |
Coulombic: | -56.771 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 331.41 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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