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Chemical ID: 6006771
Chemical ID:
6006771
Name [?]:
N-propyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)adamantane-1-carboxamide
SMILES [?]:
CCCN(CC(=O)NCC(=O)Nc1ccc(cc1)C)C(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C25H35N3O3/c1-3-8-28(24(31)25-12-18-9-19(13-25)11-20(10-18)14-25)16-23(30)26-15-22(29)27-21-6-4-17(2)5-7-21/h4-7,18-20H,3,8-16H2,1-2H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,19,2,15,17,14,18,3,25,28,30,27,23,31,9,5,16,26,24,29,13,10,6,20,22,8,12,4,11,7,21/E:(4,5)(6,7)(9,10,11)(12,13,14)(18,19,20)/rA:31nCCCNCCONCCONCCCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s4;d20;s20;s22;s23;s24;s25;s22s26;s26;s28;s24s29;s22s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H35N3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1354 |
Area: | 653.19 |
Solvation: | -4.19435 |
Coulombic: | -58.6097 |
Bond Count [?]
All: | 34 |
Single: | 28 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 425.564 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.27 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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