Chemical ID: 5607201

CCN(CC)CCNC(=O)COc1ccc(cc1)Cl
Chemical ID:
5607201
Name [?]:
2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)acetamide
SMILES [?]:
CCN(CC)CCNC(=O)COc1ccc(cc1)Cl
InChi [?]:
InChI=1/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,17,14,18,7,6,11,16,13,9,19,8,3,10,12/E:(1,2)(3,4)(5,6)(7,8)/rA:19nCCNCCCCNCOCOCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21ClN2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.80636
Area:522.212
Solvation:-4.24893
Coulombic:-33.8749
Bond Count [?]
All:19
Single:15
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:284.782
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.43
LogP (Chemaxon):1.9

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