Chemical ID: 5874696

CCCCCCC(=O)N(Cc1ccc(c(c1)OCc2ccccc2)OC)C(C)CC
Chemical ID:
5874696
Name [?]:
N-[(3-benzyloxy-4-methoxy-phenyl)methyl]-N-sec-butyl-heptanamide
SMILES [?]:
CCCCCCC(=O)N(Cc1ccc(c(c1)OCc2ccccc2)OC)C(C)CC
InChi [?]:
InChI=1/C26H37NO3/c1-5-7-8-12-15-26(28)27(21(3)6-2)19-23-16-17-24(29-4)25(18-23)30-20-22-13-10-9-11-14-22/h9-11,13-14,16-18,21H,5-8,12,15,19-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,28,26,2,29,3,4,22,21,23,5,20,24,6,12,13,16,10,18,27,19,11,14,15,7,9,8,25,17/E:(10,11)(13,14)/rA:30cCCCCCCCONCCCCCCCOCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;s19;d20;s21;d22;d19s23;s14;s25;s9;s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H37NO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.9788
Area:694.699
Solvation:-5.38867
Coulombic:-33.9333
Bond Count [?]
All:31
Single:24
Double:7
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:411.577
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.6
LogP (Chemaxon):5.95

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Descriptor Annotations

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