Chemical ID: 5893721

CCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)Nc3ccc(cc3)C#N
Chemical ID:
5893721
Name [?]:
5-[(4-cyanophenyl)carbamoylamino]-2-(1-piperidyl)-N-propyl-benzamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)Nc3ccc(cc3)C#N
InChi [?]:
InChI=1/C23H27N5O2/c1-2-12-25-22(29)20-15-19(10-11-21(20)28-13-4-3-5-14-28)27-23(30)26-18-8-6-17(16-24)7-9-18/h6-11,15H,2-5,12-14H2,1H3,(H,25,29)(H2,26,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,25,27,24,28,10,11,3,14,18,8,29,26,23,9,7,12,5,20,30,4,22,19,13,6,21/E:(4,5)(6,7)(8,9)(13,14)/rA:30nCCCNCOCCCCCCNCCCCCNCONCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s13s17;s9;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;t29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N5O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.4241
Area:667.088
Solvation:-4.25311
Coulombic:-64.6571
Bond Count [?]
All:32
Single:23
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:405.493
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.46
LogP (Chemaxon):4.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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