Chemical ID: 4099084

CC(C)c1ccc(cc1)NC(=O)NC(C)(C)C
Chemical ID:
4099084
Name [?]:
1-(4-isopropylphenyl)-3-tert-butyl-urea
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C14H22N2O/c1-10(2)11-6-8-12(9-7-11)15-13(17)16-14(3,4)5/h6-10H,1-5H3,(H2,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,17,5,9,6,8,2,4,7,11,14,10,13,12/E:(1,2)(3,4,5)(6,7)(8,9)/rA:17nCCCCCCCCCNCONCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.532
Area:439.644
Solvation:-1.45911
Coulombic:-36.1264
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.337
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):3.38

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Descriptor Annotations

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