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Chemical ID: 6343302
Chemical ID:
6343302
Name [?]:
N-[1-(1-adamantyl)ethyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C17H29NO/c1-11(18-15(19)16(2,3)4)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-14H,5-10H2,1-4H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,18,19,6,9,11,8,4,12,2,7,5,10,14,16,3,13,15/E:(2,3,4)(5,6,7)(8,9,10)(12,13,14)/rA:19cCCCCCCCCCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;d14;s14;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.65384 |
Area: | 437.569 |
Solvation: | -1.28539 |
Coulombic: | -22.938 |
Bond Count [?]
All: | 21 |
Single: | 20 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.6 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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