Chemical ID: 7101968

CCCCCNCc1ccc(cc1)OCC(=O)NC(C)(C)C
Chemical ID:
7101968
Name [?]:
2-[4-(pentylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CCCCCNCc1ccc(cc1)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C18H30N2O2/c1-5-6-7-12-19-13-15-8-10-16(11-9-15)22-14-17(21)20-18(2,3)4/h8-11,19H,5-7,12-14H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,22,2,3,4,9,13,10,12,5,7,15,8,11,16,19,6,18,17,14/E:(2,3,4)(8,9)(10,11)/rA:22nCCCCCNCCCCCCCOCCONCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s16;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H30N2O2
All Atoms:52
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4493
Area:576.577
Solvation:-3.96512
Coulombic:-38.5133
Bond Count [?]
All:22
Single:18
Double:4
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:306.443
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.84
LogP (Chemaxon):2.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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