Chemical ID: 5367371

CCC(=NNC(=O)C1COc2ccccc2O1)C(C)C
Chemical ID:
5367371
Name [?]:
N-(1-ethyl-2-methyl-propylidene)amino-7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-8-carboxamide
SMILES [?]:
CCC(=NNC(=O)C1COc2ccccc2O1)C(C)C
InChi [?]:
InChI=1/C15H20N2O3/c1-4-11(10(2)3)16-17-15(18)14-9-19-12-7-5-6-8-13(12)20-14/h5-8,10,14H,4,9H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,13,14,12,15,9,18,3,11,16,8,6,4,5,7,10,17/E:(2,3)/rA:20cCCCNNCOCCOCCCCCCOCCC/rB:s1;s2;w3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s8s16;s3;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.34728
Area:481.368
Solvation:-4.68691
Coulombic:-35.7135
Bond Count [?]
All:21
Single:16
Double:5
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:276.331
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.75
LogP (Chemaxon):3.26

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