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Chemical ID: 6675474
Chemical ID:
6675474
Name [?]:
N-benzyl-N,2-dimethyl-propanamide
SMILES [?]:
CC(C)C(=O)N(C)Cc1ccccc1
InChi [?]:
InChI=1/C12H17NO/c1-10(2)12(14)13(3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,7,12,11,13,10,14,8,2,9,4,6,5/E:(1,2)(5,6)(7,8)/rA:14nCCCCONCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s6;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55395 |
Area: | 375.786 |
Solvation: | -1.8407 |
Coulombic: | -17.8375 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.11 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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