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Chemical ID: 5896394

CCCCCC(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCC(CC3)C

Chemical ID:

5896394

Name [?]:

5-hexanoylamino-2-(4-methyl-1-piperidyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide

SMILES [?]:

CCCCCC(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCC(CC3)C

InChi [?]:

InChI=1/C24H37N3O3/c1-3-4-5-8-23(28)26-19-9-10-22(27-13-11-18(2)12-14-27)21(16-19)24(29)25-17-20-7-6-15-30-20/h9-10,16,18,20H,3-8,11-15,17H2,1-2H3,(H,25,29)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,30,2,3,4,21,20,5,10,11,26,28,25,29,22,14,18,27,9,19,13,12,6,15,17,8,24,7,16,23/E:(11,12)(13,14)/rA:30cCCCCCCONCCCCCCCONCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;s20;s21;s19s22;s12;s24;s25;s26;s27;s24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₇N₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3061
Area:	695.574
Solvation:	-5.08326
Coulombic:	-55.3054

Bond Count [?]

All:	32
Single:	27
Double:	5
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	415.569
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.58
LogP (Chemaxon):	3.64

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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