Chemical ID: 6307289

Cn1cc(cn1)CN(C)C(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
6307289
Name [?]:
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]adamantane-1-carboxamide
SMILES [?]:
Cn1cc(cn1)CN(C)C(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C17H25N3O/c1-19(10-15-9-18-20(2)11-15)16(21)17-6-12-3-13(7-17)5-14(4-12)8-17/h9,11-14H,3-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:9,1,15,18,20,17,13,21,5,7,3,16,14,19,4,10,12,6,8,2,11/E:(3,4,5)(6,7,8)(12,13,14)/rA:21nCNCCCNCNCCOCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s4;s7;s8;s8;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.61528
Area:455.349
Solvation:-2.76845
Coulombic:-20.1897
Bond Count [?]
All:24
Single:21
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.4
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.01
LogP (Chemaxon):2.03

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