Chemical ID: 6380348

CCCN(CCC)C(=O)Nc1ccccc1
Chemical ID:
6380348
Name [?]:
3-phenyl-1,1-dipropyl-urea
SMILES [?]:
CCCN(CCC)C(=O)Nc1ccccc1
InChi [?]:
InChI=1/C13H20N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,14,13,15,12,16,3,5,11,8,10,4,9/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:16nCCCNCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.21681
Area:433.163
Solvation:-1.61228
Coulombic:-32.0524
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:220.311
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.62
LogP (Chemaxon):3.22

Name Annotations

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Descriptor Annotations

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