Chemical ID: 4216452

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)c4ccc(cc4)N
Chemical ID:
4216452
Name [?]:
N-[1-(1-adamantyl)ethyl]-4-amino-benzamide
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NC(=O)c4ccc(cc4)N
InChi [?]:
InChI=1/C19H26N2O/c1-12(21-18(22)16-2-4-17(20)5-3-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11,20H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,17,21,18,20,6,9,11,8,4,12,2,7,5,10,16,19,14,3,22,13,15/E:(2,3)(4,5)(6,7,8)(9,10,11)(13,14,15)/rA:22cCCCCCCCCCCCCNCOCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.3857
Area:481.075
Solvation:-1.64122
Coulombic:-40.3048
Bond Count [?]
All:25
Single:21
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.423
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:4.75
LogP (Chemaxon):2.96

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