Chemical ID: 5892719

c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)C(=O)NC3CC3)N4CCCC4
Chemical ID:
5892719
Name [?]:
N-cyclopropyl-5-(2-phenoxyacetyl)amino-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)C(=O)NC3CC3)N4CCCC4
InChi [?]:
InChI=1/C22H25N3O3/c26-21(15-28-18-6-2-1-3-7-18)23-17-10-11-20(25-12-4-5-13-25)19(14-17)22(27)24-16-8-9-16/h1-3,6-7,10-11,14,16H,4-5,8-9,12-13,15H2,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,27,3,5,22,23,13,14,25,28,17,8,21,12,4,16,15,9,18,11,20,24,10,19,7/E:(2,3)(4,5)(6,7)(8,9)(12,13)/rA:28nCCCCCCOCCONCCCCCCCONCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s21s22;s15;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.55118
Area:622.588
Solvation:-6.01353
Coulombic:-54.6796
Bond Count [?]
All:31
Single:23
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:379.452
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.34
LogP (Chemaxon):2.76

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