Chemical ID: 6002020

CCc1ccc(cc1)C(=O)N(CCN2CCCCC2)CC(=O)Nc3cc(on3)C
Chemical ID:
6002020
Name [?]:
4-ethyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-[2-(1-piperidyl)ethyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CCN2CCCCC2)CC(=O)Nc3cc(on3)C
InChi [?]:
InChI=1/C22H30N4O3/c1-3-18-7-9-19(10-8-18)22(28)26(14-13-25-11-5-4-6-12-25)16-21(27)23-20-15-17(2)29-24-20/h7-10,15H,3-6,11-14,16H2,1-2H3,(H,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,29,2,17,16,18,4,8,5,7,15,19,13,12,25,20,26,3,6,24,21,9,23,28,14,11,22,10,27/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCCCCONCCNCCCCCCCONCCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s17;s14s18;s11;s20;d21;s21;s23;s24;d25;s26;d24s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N4O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8165
Area:644.274
Solvation:-4.29032
Coulombic:-46.913
Bond Count [?]
All:31
Single:24
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:398.499
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.21
LogP (Chemaxon):2.78

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