Chemical ID: 5891570

Cc1cccc(c1C)NC(=O)Nc2ccc(c(c2)C(=O)NCc3ccccc3)N4CCCC4
Chemical ID:
5891570
Name [?]:
N-benzyl-5-[(2,3-dimethylphenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)Nc2ccc(c(c2)C(=O)NCc3ccccc3)N4CCCC4
InChi [?]:
InChI=1/C27H30N4O2/c1-19-9-8-12-24(20(19)2)30-27(33)29-22-13-14-25(31-15-6-7-16-31)23(17-22)26(32)28-18-21-10-4-3-5-11-21/h3-5,8-14,17H,6-7,15-16,18H2,1-2H3,(H,28,32)(H2,29,30,33)
InChi Info:
AuxInfo=1/1/N:1,8,26,25,27,31,32,4,3,24,28,5,14,15,30,33,18,22,2,7,23,13,17,6,16,19,10,21,12,9,29,20,11/E:(4,5)(6,7)(10,11)(15,16)/rA:33nCCCCCCCCNCONCCCCCCCONCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;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:13.547
Area:704.24
Solvation:-4.059
Coulombic:-63.0041
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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