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Chemical ID: 6934694
Chemical ID:
6934694
Name [?]:
2-methyl-N-(1-phenylethyl)butanamide
SMILES [?]:
CCC(C)C(=O)NC(C)c1ccccc1
InChi [?]:
InChI=1/C13H19NO/c1-4-10(2)13(15)14-11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,9,2,13,12,14,11,15,3,8,10,5,7,6/E:(6,7)(8,9)/rA:15cCCCCCONCCCCCCCC/rB:s1;s2;s3;s3;d5;s5;s7;s8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 34 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.58396 |
Area: | 409.963 |
Solvation: | -1.66511 |
Coulombic: | -23.1516 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.06 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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