Chemical ID: 5892027

CC(C)(C)CC(=O)Nc1ccc(c(c1)C(=O)NCc2cccnc2)N3CCCCC3
Chemical ID:
5892027
Name [?]:
5-(3,3-dimethylbutanoylamino)-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
CC(C)(C)CC(=O)Nc1ccc(c(c1)C(=O)NCc2cccnc2)N3CCCCC3
InChi [?]:
InChI=1/C24H32N4O2/c1-24(2,3)15-22(29)27-19-9-10-21(28-12-5-4-6-13-28)20(14-19)23(30)26-17-18-8-7-11-25-16-18/h7-11,14,16H,4-6,12-13,15,17H2,1-3H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,3,4,28,27,29,21,20,10,11,22,26,30,14,5,24,18,19,9,13,12,6,15,2,23,17,8,25,7,16/E:(1,2,3)(5,6)(12,13)/rA:30nCCCCCCONCCCCCCCONCCCCCNCNCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s12;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.0318
Area:658.839
Solvation:-4.43914
Coulombic:-51.8717
Bond Count [?]
All:32
Single:24
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:408.537
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.15
LogP (Chemaxon):3.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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