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Chemical ID: 4278678
Chemical ID:
4278678
Name [?]:
N,N-diisopropyl-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(C(C)C)C(C)C
InChi [?]:
InChI=1/C14H21NO/c1-10(2)15(11(3)4)14(16)13-8-6-7-12(5)9-13/h6-11H,1-5H3
InChi Info:
AuxInfo=1/0/N:12,13,15,16,1,4,3,5,7,11,14,2,6,8,10,9/E:(1,2,3,4)(10,11)/rA:16nCCCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s11;s10;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.54642 |
Area: | 404.428 |
Solvation: | -1.56428 |
Coulombic: | -19.1068 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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