Chemical ID: 5893658

CCc1ccc(cc1)NC(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCCCC4
Chemical ID:
5893658
Name [?]:
1-(4-ethylphenyl)-3-[4-(1-piperidyl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-urea
SMILES [?]:
CCc1ccc(cc1)NC(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCCCC4
InChi [?]:
InChI=1/C25H32N4O2/c1-2-19-8-10-20(11-9-19)26-25(31)27-21-12-13-23(28-14-4-3-5-15-28)22(18-21)24(30)29-16-6-7-17-29/h8-13,18H,2-7,14-17H2,1H3,(H2,26,27,31)
InChi Info:
AuxInfo=1/1/N:1,2,29,28,30,23,24,4,8,5,7,14,15,27,31,22,25,18,3,6,13,17,16,19,10,9,12,26,21,20,11/E:(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)/rA:31nCCCCCCCCNCONCCCCCCCONCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;s23;s21s24;s16;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H32N4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.6527
Area:661.164
Solvation:-3.87635
Coulombic:-57.4952
Bond Count [?]
All:34
Single:26
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:420.547
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.51
LogP (Chemaxon):4.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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