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Chemical ID: 7101968
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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