Chemical ID: 6741107

CC1c2cc(c(cc2CC[NH+]1CCC(=O)N)OC)OC
Chemical ID:
6741107
Name [?]:
3-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILES [?]:
CC1c2cc(c(cc2CC[NH+]1CCC(=O)N)OC)OC
InChi [?]:
InChI=1/C15H22N2O3/c1-10-12-9-14(20-3)13(19-2)8-11(12)4-6-17(10)7-5-15(16)18/h8-10H,4-7H2,1-3H3,(H2,16,18)/p+1
InChi Info:
AuxInfo=1/1/N:1,18,20,9,13,10,12,7,4,2,8,3,6,5,14,16,11,15,17,19/rA:20cCCCCCCCCCCN+CCCONOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s11;s12;s13;d14;s14;s6;s17;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N2O3+
All Atoms:43
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:-25.2921
Area:472.499
Solvation:-37.1046
Coulombic:-3.56274
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:279.355
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.52
LogP (Chemaxon):0.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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