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Chemical ID: 6213269
Chemical ID:
6213269
Name [?]:
N-(1-adamantylmethyl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)NCC12CC3CC(C1)CC(C3)C2
InChi [?]:
InChI=1/C16H27NO/c1-15(2,3)14(18)17-10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,4-10H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,15,17,14,10,18,8,13,11,16,5,2,9,7,6/E:(1,2,3)(4,5,6)(7,8,9)(11,12,13)/rA:18nCCCCCONCCCCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s15;s11s16;s9s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27268 |
Area: | 424.485 |
Solvation: | -1.33945 |
Coulombic: | -22.7671 |
Bond Count [?]
All: | 20 |
Single: | 19 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 249.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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