Chemical ID: 5874444

Cc1ccccc1NC(=O)N(CCCN2CCCCC2C)Cc3ccc(cc3)OCc4ccccc4
Chemical ID:
5874444
Name [?]:
1-[(4-benzyloxyphenyl)methyl]-1-[3-(2-methyl-1-piperidyl)propyl]-3-(o-tolyl)urea
SMILES [?]:
Cc1ccccc1NC(=O)N(CCCN2CCCCC2C)Cc3ccc(cc3)OCc4ccccc4
InChi [?]:
InChI=1/C31H39N3O2/c1-25-11-6-7-15-30(25)32-31(35)34(22-10-21-33-20-9-8-12-26(33)2)23-27-16-18-29(19-17-27)36-24-28-13-4-3-5-14-28/h3-7,11,13-19,26H,8-10,12,20-24H2,1-2H3,(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,21,34,33,35,4,5,18,17,13,3,19,32,36,6,24,28,25,27,16,14,12,22,30,2,20,23,31,26,7,9,8,15,11,10,29/E:(4,5)(13,14)(16,17)(18,19)/rA:36cCCCCCCCNCONCCCNCCCCCCCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s20;s11;s22;s23;d24;s25;d26;d23s27;s26;s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H39N3O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:2
ZAP Information [?]
Total:15.2013
Area:779.868
Solvation:-4.29535
Coulombic:-46.2079
Bond Count [?]
All:39
Single:29
Double:10
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:485.66
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.15
LogP (Chemaxon):5.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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