Chemical ID: 5571130

CC(=O)NCC1c2ccccc2CCN1C(=O)C
Chemical ID:
5571130
Name [?]:
N-[(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide
SMILES [?]:
CC(=O)NCC1c2ccccc2CCN1C(=O)C
InChi [?]:
InChI=1/C14H18N2O2/c1-10(17)15-9-14-13-6-4-3-5-12(13)7-8-16(14)11(2)18/h3-6,14H,7-9H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,18,10,9,11,8,13,14,5,2,16,12,7,6,4,15,3,17/rA:18cCCONCCCCCCCCCCNCOC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s6s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.92474
Area:415.247
Solvation:-3.45643
Coulombic:-34.7028
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:246.305
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.01
LogP (Chemaxon):0.33

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Descriptor Annotations

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