Chemical ID: 5614217

C1C2CC3CC1CC(C2)(C3)NC(=O)NC45CC6CC(C4)CC(C6)C5
Chemical ID:
5614217
Name [?]:
1,3-bis(1-adamantyl)urea
SMILES [?]:
C1C2CC3CC1CC(C2)(C3)NC(=O)NC45CC6CC(C4)CC(C6)C5
InChi [?]:
InChI=1/C21H32N2O/c24-19(22-20-7-13-1-14(8-20)3-15(2-13)9-20)23-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H2,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,5,18,21,23,9,7,10,20,16,24,2,6,4,19,17,22,12,8,15,11,14,13/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(20,21)(22,23)/rA:24nCCCCCCCCCCNCONCCCCCCCCCC/rB:s1;s2;s3;s4;s1s5;s6;s7;s2s8;s4s8;s8;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s19;s21;s17s22;s15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H32N2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8255
Area:476.926
Solvation:-1.09768
Coulombic:-36.8782
Bond Count [?]
All:29
Single:28
Double:1
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:328.492
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.11
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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