Chemical ID: 5999374

CCc1ccccc1NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCOCC5
Chemical ID:
5999374
Name [?]:
N-(2-ethylphenyl)-3-(morpholinocarbonylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CCc1ccccc1NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCOCC5
InChi [?]:
InChI=1/C28H35N5O4/c1-2-22-8-6-7-11-24(22)29-27(36)31-14-12-28(13-15-31)26(35)32(20-25(34)30-16-18-37-19-17-30)21-33(28)23-9-4-3-5-10-23/h3-11H,2,12-21H2,1H3,(H,29,36)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,5,6,4,24,28,7,14,16,13,17,33,37,34,36,29,21,3,23,8,30,18,10,15,9,32,12,20,22,31,19,11,35/E:(4,5)(9,10)(12,13)(14,15)(16,17)(18,19)/rA:37cCCCCCCCCNCONCCCCCCONCNCCCCCCCCONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s15s21;s22;s23;d24;s25;d26;d23s27;s20;s29;d30;s30;s32;s33;s34;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H35N5O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:11.6551
Area:730.896
Solvation:-6.61728
Coulombic:-78.4058
Bond Count [?]
All:41
Single:32
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:505.609
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.22
LogP (Chemaxon):2.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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