Chemical ID: 4960394

c1cc(cc(c1)N)C(=O)NC23CC4CC(C2)CC(C4)C3
Chemical ID:
4960394
Name [?]:
N-(1-adamantyl)-3-amino-benzamide
SMILES [?]:
c1cc(cc(c1)N)C(=O)NC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C17H22N2O/c18-15-3-1-2-14(7-15)16(20)19-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10,18H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,17,19,4,16,12,20,15,13,18,3,5,8,11,7,10,9/E:(4,5,6)(8,9,10)(11,12,13)/rA:20nCCCCCCNCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.39632
Area:439.256
Solvation:-1.58508
Coulombic:-39.7747
Bond Count [?]
All:23
Single:19
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.369
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.49
LogP (Chemaxon):1.88

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Descriptor Annotations

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