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Chemical ID: 7273867
Chemical ID:
7273867
Name [?]:
3-phenyl-N-[[1-(1-piperidyl)cyclohexyl]methyl]-2-ureido-propanamide
SMILES [?]:
c1ccc(cc1)CC(C(=O)NCC2(CCCCC2)N3CCCCC3)NC(=O)N
InChi [?]:
InChI=1/C22H34N4O2/c23-21(28)25-19(16-18-10-4-1-5-11-18)20(27)24-17-22(12-6-2-7-13-22)26-14-8-3-9-15-26/h1,4-5,10-11,19H,2-3,6-9,12-17H2,(H,24,27)(H3,23,25,28)
InChi Info:
AuxInfo=1/1/N:1,16,22,2,6,15,17,21,23,3,5,14,18,20,24,7,12,4,8,9,26,13,28,11,25,19,10,27/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28cCCCCCCCCCONCCCCCCCNCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s13;s19;s20;s21;s22;s19s23;s8;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H34N4O2 |
All Atoms: | 62 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5121 |
Area: | 606.3 |
Solvation: | -3.64546 |
Coulombic: | -66.1965 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 386.531 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 2.51 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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