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Chemical ID: 7272359
Chemical ID:
7272359
Name [?]:
2-(3-dimethylamino-2,2-dimethyl-propyl)amino-N-phenyl-propanamide
SMILES [?]:
CC(C(=O)Nc1ccccc1)NCC(C)(C)CN(C)C
InChi [?]:
InChI=1/C16H27N3O/c1-13(17-11-16(2,3)12-19(4)5)15(20)18-14-9-7-6-8-10-14/h6-10,13,17H,11-12H2,1-5H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,15,16,19,20,9,8,10,7,11,13,17,2,6,3,14,12,5,18,4/E:(2,3)(4,5)(7,8)(9,10)/rA:20cCCCONCCCCCCNCCCCCNCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2;s12;s13;s14;s14;s14;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27N3O |
All Atoms: | 47 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.70881 |
Area: | 505.255 |
Solvation: | -2.92258 |
Coulombic: | -35.3612 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 277.405 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.99 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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