Chemical ID: 6664563

CCN(CC)C(=O)Nc1cccc(c1)C
Chemical ID:
6664563
Name [?]:
1,1-diethyl-3-(m-tolyl)urea
SMILES [?]:
CCN(CC)C(=O)Nc1cccc(c1)C
InChi [?]:
InChI=1/C12H18N2O/c1-4-14(5-2)12(15)13-11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,5,15,2,4,11,12,10,14,13,9,6,8,3,7/E:(1,2)(4,5)/rA:15nCCNCCCONCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.40529
Area:402.237
Solvation:-1.65063
Coulombic:-30.9953
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:206.284
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.34
LogP (Chemaxon):2.75

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Descriptor Annotations

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