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Chemical ID: 5895040

c1ccc(cc1)CNC(=O)c2cc(ccc2N3CCCCC3)NC(=O)C4CCCC4

Chemical ID:

5895040

Name [?]:

N-benzyl-5-cyclopentylcarbonylamino-2-(1-piperidyl)benzamide

SMILES [?]:

c1ccc(cc1)CNC(=O)c2cc(ccc2N3CCCCC3)NC(=O)C4CCCC4

InChi [?]:

InChI=1/C25H31N3O2/c29-24(20-11-5-6-12-20)27-21-13-14-23(28-15-7-2-8-16-28)22(17-21)25(30)26-18-19-9-3-1-4-10-19/h1,3-4,9-10,13-14,17,20H,2,5-8,11-12,15-16,18H2,(H,26,30)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,20,2,6,28,29,19,21,3,5,27,30,14,15,18,22,12,7,4,26,13,11,16,24,9,8,23,17,25,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)/rA:30nCCCCCCCNCOCCCCCCNCCCCCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s20;s17s21;s13;s23;d24;s24;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₁N₃O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.5438
Area:	655.423
Solvation:	-3.84173
Coulombic:	-49.1887

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	405.533
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.81
LogP (Chemaxon):	4.51

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value