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Chemical ID: 5902058

CCCCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)C3CC3c4ccccc4

Chemical ID:

5902058

Name [?]:

N-[4-(4-hexanoylpiperazin-1-yl)phenyl]-2-phenyl-cyclopropane-1-carboxamide

SMILES [?]:

CCCCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)C3CC3c4ccccc4

InChi [?]:

InChI=1/C26H33N3O2/c1-2-3-5-10-25(30)29-17-15-28(16-18-29)22-13-11-21(12-14-22)27-26(31)24-19-23(24)20-8-6-4-7-9-20/h4,6-9,11-14,23-24H,2-3,5,10,15-19H2,1H3,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,2,3,29,4,28,30,27,31,5,16,18,15,19,10,12,9,13,24,26,17,14,25,23,6,21,20,11,8,7,22/E:(6,7)(8,9)(11,12)(13,14)(15,16)(17,18)/rA:31cCCCCCCONCCNCCCCCCCCNCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;s23s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₃N₃O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	2

ZAP Information [?]

Total:	12.8739
Area:	686.009
Solvation:	-4.27633
Coulombic:	-43.1278

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	419.559
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.46
LogP (Chemaxon):	4.79

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

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Chemical Mix	Source	External ID	Descriptor	Value