Chemical ID: 5976128

CCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N(C)C
Chemical ID:
5976128
Name [?]:
4-butyl-N-(4-dimethylamino-3-pyrrolidin-1-ylcarbonyl-phenyl)-benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N(C)C
InChi [?]:
InChI=1/C24H31N3O2/c1-4-5-8-18-9-11-19(12-10-18)23(28)25-20-13-14-22(26(2)3)21(17-20)24(29)27-15-6-7-16-27/h9-14,17H,4-8,15-16H2,1-3H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,29,2,3,24,25,4,6,10,7,9,15,16,23,26,19,5,8,14,18,17,11,20,13,27,22,12,21/E:(2,3)(6,7)(9,10)(11,12)(15,16)/rA:29nCCCCCCCCCCCONCCCCCCCONCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;s24;s22s25;s17;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.594
Area:655.629
Solvation:-3.7967
Coulombic:-45.8096
Bond Count [?]
All:31
Single:23
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:393.522
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.29
LogP (Chemaxon):4.49

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Descriptor Annotations

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