Chemical ID: 4245048

CCN(Cc1ccccc1)C(=O)COCC
Chemical ID:
4245048
Name [?]:
N-benzyl-2-ethoxy-N-ethyl-acetamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)COCC
InChi [?]:
InChI=1/C13H19NO2/c1-3-14(13(15)11-16-4-2)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,15,8,7,9,6,10,4,13,5,11,3,12,14/E:(6,7)(8,9)/rA:16nCCNCCCCCCCCOCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.69331
Area:428.876
Solvation:-4.02861
Coulombic:-25.452
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.89
LogP (Chemaxon):1.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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