Chemical ID: 6525576

CCN(CC)CCCNC(=O)Nc1ccccc1
Chemical ID:
6525576
Name [?]:
1-(3-diethylaminopropyl)-3-phenyl-urea
SMILES [?]:
CCN(CC)CCCNC(=O)Nc1ccccc1
InChi [?]:
InChI=1/C14H23N3O/c1-3-17(4-2)12-8-11-15-14(18)16-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H2,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,15,17,7,14,18,8,6,13,10,9,12,3,11/E:(1,2)(3,4)(6,7)(9,10)/rA:18nCCNCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23N3O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.0215
Area:485.705
Solvation:-2.12109
Coulombic:-40.5303
Bond Count [?]
All:18
Single:14
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:249.352
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.97
LogP (Chemaxon):2.06

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue