Chemical ID: 6045978

CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCC)O
Chemical ID:
6045978
Name [?]:
N-[2-hydroxy-1-(hydroxymethyl)heptadecyl]hexadecanamide
SMILES [?]:
CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCC)O
InChi [?]:
InChI=1/C34H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)
InChi Info:
AuxInfo=1/1/N:1,37,2,36,3,35,4,34,5,33,6,32,7,31,8,30,9,29,10,28,11,27,12,26,13,25,14,24,15,23,18,17,16,21,20,19,38,22/rA:38cCCCCCCCCCCCCCCCCCCONCOCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s17;s20;d21;s21;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H69NO3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:2
ZAP Information [?]
Total:22.5917
Area:1051.76
Solvation:-3.70221
Coulombic:-61.9536
Bond Count [?]
All:37
Single:36
Double:1
Rotors:32
Chiral:0
Rigid Segments:18
Chemical Properties
Molecular Weight:539.917
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:11.45
LogP (Chemaxon):10.21

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Descriptor Annotations

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