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Chemical ID: 5639320
Chemical ID:
5639320
Name [?]:
N-[4-(1-adamantyl)phenyl]adamantane-1-carboxamide
SMILES [?]:
c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)C56CC7CC(C5)CC(C7)C6
InChi [?]:
InChI=1/C27H35NO/c29-25(27-14-20-8-21(15-27)10-22(9-20)16-27)28-24-3-1-23(2-4-24)26-11-17-5-18(12-26)7-19(6-17)13-26/h1-4,17-22H,5-16H2,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,13,15,23,26,28,12,8,16,25,21,29,11,9,14,24,22,27,6,3,18,7,20,17,19/E:(1,2)(3,4)(5,6,7)(8,9,10)(11,12,13)(14,15,16)(17,18,19)(20,21,22)/rA:29nCCCCCCCCCCCCCCCCNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s11;s13;s9s14;s7s14;s3;s17;d18;s18;s20;s21;s22;s23;s20s24;s24;s26;s22s27;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H35NO |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5262 |
Area: | 565.169 |
Solvation: | -1.60303 |
Coulombic: | -23.8363 |
Bond Count [?]
All: | 35 |
Single: | 31 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 389.573 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.57 |
LogP (Chemaxon): | 6.19 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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