Chemical ID: 4471088

CCC(=O)c1ccccc1OCCCCNC2CCCC2
Chemical ID:
4471088
Name [?]:
1-[2-(4-cyclopentylaminobutoxy)phenyl]propan-1-one
SMILES [?]:
CCC(=O)c1ccccc1OCCCCNC2CCCC2
InChi [?]:
InChI=1/C18H27NO2/c1-2-17(20)16-11-5-6-12-18(16)21-14-8-7-13-19-15-9-3-4-10-15/h5-6,11-12,15,19H,2-4,7-10,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,20,7,8,14,13,18,21,6,9,15,12,17,5,3,10,16,4,11/E:(3,4)(9,10)/rA:21nCCCOCCCCCCOCCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H27NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.33335
Area:538.037
Solvation:-4.11759
Coulombic:-24.2018
Bond Count [?]
All:22
Single:18
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:289.413
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):3.04

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Descriptor Annotations

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