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Chemical ID: 4203605
Chemical ID:
4203605
Name [?]:
N-(3-dimethylamino-2-methyl-propyl)-4-tert-butyl-benzamide
SMILES [?]:
CC(CNC(=O)c1ccc(cc1)C(C)(C)C)CN(C)C
InChi [?]:
InChI=1/C17H28N2O/c1-13(12-19(5)6)11-18-16(20)14-7-9-15(10-8-14)17(2,3)4/h7-10,13H,11-12H2,1-6H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,14,15,16,19,20,8,12,9,11,3,17,2,7,10,5,13,4,18,6/E:(2,3,4)(5,6)(7,8)(9,10)/rA:20cCCCNCOCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s13;s13;s2;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H28N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0154 |
Area: | 518.018 |
Solvation: | -1.93501 |
Coulombic: | -29.1649 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 276.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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