Chemical ID: 3959454

CCOCCCNCC(=O)N1CCc2ccccc2C1
Chemical ID:
3959454
Name [?]:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-ethoxypropylamino)ethanone
SMILES [?]:
CCOCCCNCC(=O)N1CCc2ccccc2C1
InChi [?]:
InChI=1/C16H24N2O2/c1-2-20-11-5-9-17-12-16(19)18-10-8-14-6-3-4-7-15(14)13-18/h3-4,6-7,17H,2,5,8-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,17,5,15,18,13,6,12,4,8,20,14,19,9,7,11,10,3/rA:20nCCOCCCNCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.33899
Area:512.788
Solvation:-4.48071
Coulombic:-32.8031
Bond Count [?]
All:21
Single:17
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:276.374
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.29
LogP (Chemaxon):0.95

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Descriptor Annotations

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