Chemical ID: 6007807

CCCCC(CC)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCCCC4
Chemical ID:
6007807
Name [?]:
8-(2-ethylhexanoyl)-1-phenyl-3-(1-piperidylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CCCCC(CC)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCCCC4
InChi [?]:
InChI=1/C28H42N4O3/c1-3-5-12-23(4-2)26(34)30-19-15-28(16-20-30)27(35)31(21-25(33)29-17-10-7-11-18-29)22-32(28)24-13-8-6-9-14-24/h6,8-9,13-14,23H,3-5,7,10-12,15-22H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,3,24,33,23,25,32,34,4,22,26,12,14,31,35,11,15,27,19,5,21,28,8,16,13,30,10,18,20,29,9,17/E:(8,9)(10,11)(13,14)(15,16)(17,18)(19,20)/rA:35cCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s13s19;s20;s21;d22;s23;d24;d21s25;s18;s27;d28;s28;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H42N4O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:12.8214
Area:714.79
Solvation:-5.04832
Coulombic:-57.3881
Bond Count [?]
All:38
Single:32
Double:6
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:482.658
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.41
LogP (Chemaxon):3.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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