Chemical ID: 6947013

CCCCCC(=O)Nc1ccc(c(c1)OC)NC(=O)CCCC
Chemical ID:
6947013
Name [?]:
N-(3-methoxy-4-pentanoylamino-phenyl)hexanamide
SMILES [?]:
CCCCCC(=O)Nc1ccc(c(c1)OC)NC(=O)CCCC
InChi [?]:
InChI=1/C18H28N2O3/c1-4-6-8-10-17(21)19-14-11-12-15(16(13-14)23-3)20-18(22)9-7-5-2/h11-13H,4-10H2,1-3H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,16,2,22,3,21,4,20,5,10,11,14,9,12,13,6,18,8,17,7,19,15/rA:23nCCCCCCONCCCCCCOCNCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;d18;s18;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28N2O3
All Atoms:51
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6349
Area:587.649
Solvation:-4.0563
Coulombic:-47.7794
Bond Count [?]
All:23
Single:18
Double:5
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:320.427
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.37
LogP (Chemaxon):3.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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