Chemical ID: 5892380

CC(CC(=O)Nc1ccc(c(c1)C(=O)N2CCCC2)N3CCCC3)CC(C)(C)C
Chemical ID:
5892380
Name [?]:
3,5,5-trimethyl-N-(4-pyrrolidin-1-yl-3-pyrrolidin-1-ylcarbonyl-phenyl)-hexanamide
SMILES [?]:
CC(CC(=O)Nc1ccc(c(c1)C(=O)N2CCCC2)N3CCCC3)CC(C)(C)C
InChi [?]:
InChI=1/C24H37N3O2/c1-18(17-24(2,3)4)15-22(28)25-19-9-10-21(26-11-5-6-12-26)20(16-19)23(29)27-13-7-8-14-27/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,22,23,17,18,8,9,21,24,16,19,3,12,25,2,7,11,10,4,13,26,6,20,15,5,14/E:(2,3,4)(5,6)(7,8)(11,12)(13,14)/rA:29cCCCCONCCCCCCCONCCCCNCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s15;s16;s17;s15s18;s10;s20;s21;s22;s20s23;s2;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H37N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.2348
Area:641.524
Solvation:-3.80329
Coulombic:-43.4463
Bond Count [?]
All:31
Single:26
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:399.57
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.63
LogP (Chemaxon):4.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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