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Chemical ID: 4058684
Chemical ID:
4058684
Name [?]:
3-(cyclopropylmethyl)-1-(4-isopropylphenyl)-urea
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)NCC2CC2
InChi [?]:
InChI=1/C14H20N2O/c1-10(2)12-5-7-13(8-6-12)16-14(17)15-9-11-3-4-11/h5-8,10-11H,3-4,9H2,1-2H3,(H2,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,5,9,6,8,14,2,15,4,7,11,13,10,12/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCCCCCCCCNCONCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67072 |
Area: | 450.76 |
Solvation: | -1.59828 |
Coulombic: | -36.2137 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 232.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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