Chemical ID: 7102370

CCC(C)NCc1ccc(cc1)OCC(=O)NC(C)(C)C
Chemical ID:
7102370
Name [?]:
2-[4-(sec-butylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CCC(C)NCc1ccc(cc1)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C17H28N2O2/c1-6-13(2)18-11-14-7-9-15(10-8-14)21-12-16(20)19-17(3,4)5/h7-10,13,18H,6,11-12H2,1-5H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,19,20,21,2,8,12,9,11,6,14,3,7,10,15,18,5,17,16,13/E:(3,4,5)(7,8)(9,10)/rA:21cCCCCNCCCCCCCOCCONCCCC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28N2O2
All Atoms:49
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.58851
Area:541.624
Solvation:-3.9521
Coulombic:-37.9838
Bond Count [?]
All:21
Single:17
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:292.417
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.16
LogP (Chemaxon):2.3

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Descriptor Annotations

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