Chemical ID: 4623633

CC(C)NCCC(=O)c1ccc(cc1)OC(C)C
Chemical ID:
4623633
Name [?]:
1-(4-isopropoxyphenyl)-3-isopropylamino-propan-1-one
SMILES [?]:
CC(C)NCCC(=O)c1ccc(cc1)OC(C)C
InChi [?]:
InChI=1/C15H23NO2/c1-11(2)16-10-9-15(17)13-5-7-14(8-6-13)18-12(3)4/h5-8,11-12,16H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,10,14,11,13,6,5,2,16,9,12,7,4,8,15/E:(1,2)(3,4)(5,6)(7,8)/rA:18nCCCNCCCOCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.15733
Area:481.873
Solvation:-2.88949
Coulombic:-24.9886
Bond Count [?]
All:18
Single:14
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:249.349
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.99
LogP (Chemaxon):2.3

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Descriptor Annotations

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