Chemical ID: 6505960

CCCCCCOc1ccc(c(c1)O)C(=O)NCCN
Chemical ID:
6505960
Name [?]:
N-(2-aminoethyl)-4-hexoxy-2-hydroxy-benzamide
SMILES [?]:
CCCCCCOc1ccc(c(c1)O)C(=O)NCCN
InChi [?]:
InChI=1/C15H24N2O3/c1-2-3-4-5-10-20-12-6-7-13(14(18)11-12)15(19)17-9-8-16/h6-7,11,18H,2-5,8-10,16H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,9,10,19,18,6,13,8,11,12,15,20,17,14,16,7/rA:20nCCCCCCOCCCCCCOCONCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;d15;s15;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.80144
Area:529.823
Solvation:-4.44414
Coulombic:-57.1711
Bond Count [?]
All:20
Single:16
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:280.363
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:3.08
LogP (Chemaxon):0.27

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Descriptor Annotations

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