Chemical ID: 5894037

c1ccc(cc1)CCNC(=O)c2cc(ccc2N3CCCC3)NC(=O)NC4CCCCC4
Chemical ID:
5894037
Name [?]:
5-(cyclohexylcarbamoylamino)-N-phenethyl-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2cc(ccc2N3CCCC3)NC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C26H34N4O2/c31-25(27-16-15-20-9-3-1-4-10-20)23-19-22(13-14-24(23)30-17-7-8-18-30)29-26(32)28-21-11-5-2-6-12-21/h1,3-4,9-10,13-14,19,21H,2,5-8,11-12,15-18H2,(H,27,31)(H2,28,29,32)
InChi Info:
AuxInfo=1/1/N:1,30,2,6,29,31,20,21,3,5,28,32,15,16,7,8,19,22,13,4,27,14,12,17,10,24,9,26,23,18,11,25/E:(3,4)(5,6)(7,8)(9,10)(11,12)(17,18)/rA:32nCCCCCCCCNCOCCCCCCNCCCCNCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s18s21;s14;s23;d24;s24;s26;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H34N4O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.6075
Area:702.536
Solvation:-3.95595
Coulombic:-63.4608
Bond Count [?]
All:35
Single:27
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:434.574
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.73
LogP (Chemaxon):4.45

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue