Chemical ID: 7422088

COCCCNC(=O)C1Cc2ccccc2CN1
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

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Descriptor Annotations

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