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Chemical ID: 5892149

CCCCCCC(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCCCC3

Chemical ID:

5892149

Name [?]:

N-[4-(1-piperidyl)-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]heptanamide

SMILES [?]:

CCCCCCC(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCCCC3

InChi [?]:

InChI=1/C24H37N3O3/c1-2-3-4-6-11-23(28)26-19-12-13-22(27-14-7-5-8-15-27)21(17-19)24(29)25-18-20-10-9-16-30-20/h12-13,17,20H,2-11,14-16,18H2,1H3,(H,25,29)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,28,5,27,29,22,21,6,11,12,26,30,23,15,19,10,20,14,13,7,16,18,9,25,8,17,24/E:(7,8)(14,15)/rA:30cCCCCCCCONCCCCCCCONCCCCCONCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s21;s22;s20s23;s13;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.3048
Area:	696.665
Solvation:	-5.11187
Coulombic:	-55.2986

Bond Count [?]

All:	32
Single:	27
Double:	5
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	415.569
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.64
LogP (Chemaxon):	3.7

Name Annotations

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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