Chemical ID: 5894096

CCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)Nc3cccc(c3)C
Chemical ID:
5894096
Name [?]:
5-(m-tolylcarbamoylamino)-N-propyl-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)Nc3cccc(c3)C
InChi [?]:
InChI=1/C22H28N4O2/c1-3-11-23-21(27)19-15-18(9-10-20(19)26-12-4-5-13-26)25-22(28)24-17-8-6-7-16(2)14-17/h6-10,14-15H,3-5,11-13H2,1-2H3,(H,23,27)(H2,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,2,15,16,24,25,23,10,11,3,14,17,27,8,26,22,9,7,12,5,19,4,21,18,13,6,20/E:(4,5)(12,13)/rA:28nCCCNCOCCCCCCNCCCCNCONCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s13s16;s9;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.876
Area:628.512
Solvation:-3.83681
Coulombic:-61.6984
Bond Count [?]
All:30
Single:22
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:380.483
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.82
LogP (Chemaxon):4.27

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