Chemical ID: 6008218

CCCCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccc(c(c4)C)C
Chemical ID:
6008218
Name [?]:
N-(3,4-dimethylphenyl)-2-(8-heptanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-acetamide
SMILES [?]:
CCCCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccc(c(c4)C)C
InChi [?]:
InChI=1/C30H40N4O3/c1-4-5-6-10-13-28(36)32-18-16-30(17-19-32)29(37)33(22-34(30)26-11-8-7-9-12-26)21-27(35)31-25-15-14-23(2)24(3)20-25/h7-9,11-12,14-15,20H,4-6,10,13,16-19,21-22H2,1-3H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,37,36,2,3,4,23,22,24,5,21,25,6,32,31,11,13,10,14,35,26,18,33,34,30,20,27,7,15,12,29,9,17,19,28,8,16/E:(8,9)(11,12)(16,17)(18,19)/rA:37cCCCCCCCONCCCCCCONCNCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s12s18;s19;s20;d21;s22;d23;d20s24;s17;s26;d27;s27;s29;s30;d31;s32;d33;d30s34;s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N4O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:14.1526
Area:783.882
Solvation:-5.44443
Coulombic:-61.0865
Bond Count [?]
All:40
Single:31
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:504.664
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.55
LogP (Chemaxon):5.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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