Chemical ID: 4496656

CC(C)NCc1ccccc1OCC(=O)N
Chemical ID:
4496656
Name [?]:
2-[2-(isopropylaminomethyl)phenoxy]acetamide
SMILES [?]:
CC(C)NCc1ccccc1OCC(=O)N
InChi [?]:
InChI=1/C12H18N2O2/c1-9(2)14-7-10-5-3-4-6-11(10)16-8-12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,8,9,7,10,5,13,2,6,11,14,16,4,15,12/E:(1,2)/rA:16nCCCNCCCCCCCOCCON/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.19175
Area:426.44
Solvation:-4.46924
Coulombic:-41.1053
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:222.284
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.99
LogP (Chemaxon):0.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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