Chemical ID: 5922020

Cc1ccccc1C(=O)N(CCN2CCOCC2)CC(=O)N(CCc3ccccc3)Cc4ccc(o4)C
Chemical ID:
5922020
Name [?]:
2-methyl-N-[[(5-methyl-2-furyl)methyl-phenethyl-carbamoyl]methyl]-N-(2-morpholinoethyl)benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CCN2CCOCC2)CC(=O)N(CCc3ccccc3)Cc4ccc(o4)C
InChi [?]:
InChI=1/C30H37N3O4/c1-24-8-6-7-11-28(24)30(35)33(17-16-31-18-20-36-21-19-31)23-29(34)32(22-27-13-12-25(2)37-27)15-14-26-9-4-3-5-10-26/h3-13H,14-23H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,37,28,27,29,4,5,3,26,30,6,34,33,24,23,12,11,14,18,15,17,31,19,2,35,25,32,7,20,8,13,22,10,21,9,16,36/E:(4,5)(9,10)(18,19)(20,21)/rA:37nCCCCCCCCONCCNCCOCCCCONCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s10;s19;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s22;s31;d32;s33;d34;s32s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H37N3O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:12.608
Area:765.772
Solvation:-6.53626
Coulombic:-55.4034
Bond Count [?]
All:40
Single:30
Double:10
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:503.633
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.28
LogP (Chemaxon):3.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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