Chemical ID: 5891900

COc1ccccc1C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCCCC4
Chemical ID:
5891900
Name [?]:
2-methoxy-N-[4-(1-piperidyl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-benzamide
SMILES [?]:
COc1ccccc1C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCCCC4
InChi [?]:
InChI=1/C24H29N3O3/c1-30-22-10-4-3-9-19(22)23(28)25-18-11-12-21(26-13-5-2-6-14-26)20(17-18)24(29)27-15-7-8-16-27/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,6,5,27,29,22,23,7,4,13,14,26,30,21,24,17,12,8,16,15,3,9,18,11,25,20,10,19,2/E:(5,6)(7,8)(13,14)(15,16)/rA:30nCOCCCCCCCONCCCCCCCONCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s22;s20s23;s15;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.92812
Area:626.515
Solvation:-5.73477
Coulombic:-50.6554
Bond Count [?]
All:33
Single:25
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:407.505
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.03
LogP (Chemaxon):3.31

Name Annotations

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Descriptor Annotations

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