Chemical ID: 5891568

Cc1ccc(c(c1)C)NC(=O)Nc2ccc(c(c2)C(=O)NCc3ccccc3)N4CCCC4
Chemical ID:
5891568
Name [?]:
N-benzyl-5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)Nc2ccc(c(c2)C(=O)NCc3ccccc3)N4CCCC4
InChi [?]:
InChI=1/C27H30N4O2/c1-19-10-12-24(20(2)16-19)30-27(33)29-22-11-13-25(31-14-6-7-15-31)23(17-22)26(32)28-18-21-8-4-3-5-9-21/h3-5,8-13,16-17H,6-7,14-15,18H2,1-2H3,(H,28,32)(H2,29,30,33)
InChi Info:
AuxInfo=1/1/N:1,8,26,25,27,31,32,24,28,3,14,4,15,30,33,7,18,22,2,6,23,13,17,5,16,19,10,21,12,9,29,20,11/E:(4,5)(6,7)(8,9)(14,15)/rA:33nCCCCCCCCNCONCCCCCCCONCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s16;s29;s30;s31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N4O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.5649
Area:706.189
Solvation:-4.08979
Coulombic:-62.9856
Bond Count [?]
All:36
Single:25
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:442.553
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.97
LogP (Chemaxon):5.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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