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Chemical ID: 6935724
Chemical ID:
6935724
Name [?]:
N-(3-methoxyphenyl)-2-methyl-butanamide
SMILES [?]:
CCC(C)C(=O)Nc1cccc(c1)OC
InChi [?]:
InChI=1/C12H17NO2/c1-4-9(2)12(14)13-10-6-5-7-11(8-10)15-3/h5-9H,4H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,15,2,10,9,11,13,3,8,12,5,7,6,14/rA:15cCCCCCONCCCCCCOC/rB:s1;s2;s3;s3;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 32 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.78077 |
Area: | 399.014 |
Solvation: | -3.19459 |
Coulombic: | -27.8303 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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