Chemical ID: 4341336

CN(C)c1cccc(c1)NC(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
4341336
Name [?]:
N-(3-dimethylaminophenyl)adamantane-1-carboxamide
SMILES [?]:
CN(C)c1cccc(c1)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H26N2O/c1-21(2)17-5-3-4-16(9-17)20-18(22)19-10-13-6-14(11-19)8-15(7-13)12-19/h3-5,9,13-15H,6-8,10-12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,5,16,19,21,9,18,14,22,17,15,20,8,4,11,13,10,2,12/E:(1,2)(6,7,8)(10,11,12)(13,14,15)/rA:22nCNCCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.94993
Area:481.237
Solvation:-2.081
Coulombic:-28.0519
Bond Count [?]
All:25
Single:21
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.423
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.44
LogP (Chemaxon):4.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue