Chemical ID: 5483494

c1cc2c(cc1C(=O)NCC34CC5CC(C3)CC(C5)C4)OCCO2
Chemical ID:
5483494
Name [?]:
N-(1-adamantylmethyl)-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene-8-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)NCC34CC5CC(C3)CC(C5)C4)OCCO2
InChi [?]:
InChI=1/C20H25NO3/c22-19(16-1-2-17-18(8-16)24-4-3-23-17)21-12-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-2,8,13-15H,3-7,9-12H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,14,17,19,5,16,12,20,10,15,13,18,6,3,4,7,11,9,8,24,21/E:(5,6,7)(9,10,11)(13,14,15)/rA:24nCCCCCCCONCCCCCCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;s4;s21;s22;s3s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.46967
Area:506.483
Solvation:-3.1924
Coulombic:-39.1942
Bond Count [?]
All:28
Single:24
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.417
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.73
LogP (Chemaxon):2.65

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Descriptor Annotations

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