Chemical ID: 4876853

Cc1ccc(cc1C)NC(=O)CN2CCN(CC2)CCO
Chemical ID:
4876853
Name [?]:
N-(3,4-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CN2CCN(CC2)CCO
InChi [?]:
InChI=1/C16H25N3O2/c1-13-3-4-15(11-14(13)2)17-16(21)12-19-7-5-18(6-8-19)9-10-20/h3-4,11,20H,5-10,12H2,1-2H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,15,17,14,18,19,20,6,12,2,7,5,10,9,16,13,21,11/E:(5,6)(7,8)/rA:21nCCCCCCCCNCOCNCCNCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25N3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.97218
Area:510.033
Solvation:-4.77865
Coulombic:-45.3869
Bond Count [?]
All:22
Single:18
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.389
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.61
LogP (Chemaxon):1.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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