Chemical ID: 5892895

CCCCCC(=O)Nc1ccc(c(c1)C(=O)NCc2cccnc2)N3CCCC3
Chemical ID:
5892895
Name [?]:
5-hexanoylamino-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
CCCCCC(=O)Nc1ccc(c(c1)C(=O)NCc2cccnc2)N3CCCC3
InChi [?]:
InChI=1/C23H30N4O2/c1-2-3-4-9-22(28)26-19-10-11-21(27-13-5-6-14-27)20(15-19)23(29)25-17-18-8-7-12-24-16-18/h7-8,10-12,15-16H,2-6,9,13-14,17H2,1H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,27,28,21,20,5,10,11,22,26,29,14,24,18,19,9,13,12,6,15,23,17,8,25,7,16/E:(5,6)(13,14)/rA:29nCCCCCCONCCCCCCCONCCCCCNCNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s12;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.1239
Area:667.347
Solvation:-4.55981
Coulombic:-51.7248
Bond Count [?]
All:31
Single:23
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:394.51
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.81
LogP (Chemaxon):3.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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