Chemical ID: 6665712

CCCN(CCC)C(=O)Nc1ccc(cc1)Cc2ccc(cc2)NC(=O)N(CCC)CCC
Chemical ID:
6665712
Name [?]:
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropyl-urea
SMILES [?]:
CCCN(CCC)C(=O)Nc1ccc(cc1)Cc2ccc(cc2)NC(=O)N(CCC)CCC
InChi [?]:
InChI=1/C27H40N4O2/c1-5-17-30(18-6-2)26(32)28-24-13-9-22(10-14-24)21-23-11-15-25(16-12-23)29-27(33)31(19-7-3)20-8-4/h9-16H,5-8,17-21H2,1-4H3,(H,28,32)(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,7,30,33,2,6,29,32,13,15,19,23,12,16,20,22,3,5,28,31,17,14,18,11,21,8,25,10,24,4,27,9,26/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)/gE:(1,2)/rA:33nCCCNCCCCONCCCCCCCCCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;s27;s28;s29;s27;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H40N4O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:16.151
Area:778.18
Solvation:-3.3035
Coulombic:-63.0228
Bond Count [?]
All:34
Single:26
Double:8
Rotors:16
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:452.632
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.76
LogP (Chemaxon):6.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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