Chemical ID: 5874687

CCCCC(CC)C(=O)N(CCN1CCOCC1)Cc2ccc(c(c2)OCc3ccccc3)OC
Chemical ID:
5874687
Name [?]:
N-[(3-benzyloxy-4-methoxy-phenyl)methyl]-2-ethyl-N-(2-morpholinoethyl)hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(CCN1CCOCC1)Cc2ccc(c(c2)OCc3ccccc3)OC
InChi [?]:
InChI=1/C29H42N2O4/c1-4-6-12-26(5-2)29(32)31(16-15-30-17-19-34-20-18-30)22-25-13-14-27(33-3)28(21-25)35-23-24-10-8-7-9-11-24/h7-11,13-14,21,26H,4-6,12,15-20,22-23H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,35,2,6,3,31,30,32,29,33,4,21,22,12,11,14,18,15,17,25,19,27,28,20,5,23,24,8,13,10,9,34,16,26/E:(8,9)(10,11)(17,18)(19,20)/rA:35cCCCCCCCCONCCNCCOCCCCCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s10;s19;s20;d21;s22;d23;d20s24;s24;s26;s27;s28;d29;s30;d31;d28s32;s23;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H42N2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.8995
Area:770.033
Solvation:-7.35128
Coulombic:-46.6661
Bond Count [?]
All:37
Single:30
Double:7
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:482.655
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.11
LogP (Chemaxon):4.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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