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Chemical ID: 5896866

CCc1ccccc1NC(=O)Nc2ccc(c(c2)C(=O)N3CCC(CC3)C)N4CCCCC4

Chemical ID:

5896866

Name [?]:

1-(2-ethylphenyl)-3-[3-[(4-methyl-1-piperidyl)carbonyl]-4-(1-piperidyl)phenyl]-urea

SMILES [?]:

CCc1ccccc1NC(=O)Nc2ccc(c(c2)C(=O)N3CCC(CC3)C)N4CCCCC4

InChi [?]:

InChI=1/C27H36N4O2/c1-3-21-9-5-6-10-24(21)29-27(33)28-22-11-12-25(30-15-7-4-8-16-30)23(19-22)26(32)31-17-13-20(2)14-18-31/h5-6,9-12,19-20H,3-4,7-8,13-18H2,1-2H3,(H2,28,29,33)

InChi Info:

AuxInfo=1/1/N:1,27,2,31,5,6,30,32,4,7,14,15,23,25,29,33,22,26,18,24,3,13,17,8,16,19,10,12,9,28,21,20,11/E:(7,8)(13,14)(15,16)(17,18)/rA:33nCCCCCCCCNCONCCCCCCCONCCCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;s23;s24;s21s25;s24;s16;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₆N₄O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.6676
Area:	694.695
Solvation:	-3.69974
Coulombic:	-58.5021

Bond Count [?]

All:	36
Single:	28
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	448.6
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.16
LogP (Chemaxon):	4.9

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