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Chemical ID: 7422088
Chemical ID:
7422088
Name [?]:
N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILES [?]:
COCCCNC(=O)C1Cc2ccccc2CN1
InChi [?]:
InChI=1/C14H20N2O2/c1-18-8-4-7-15-14(17)13-9-11-5-2-3-6-12(11)10-16-13/h2-3,5-6,13,16H,4,7-10H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,13,14,4,12,15,5,3,10,17,11,16,9,7,6,18,8,2/rA:18cCOCCCNCOCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s9s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O2 |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.49463 |
Area: | 462.942 |
Solvation: | -4.07892 |
Coulombic: | -37.9194 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 248.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.82 |
LogP (Chemaxon): | 0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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