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Chemical ID: 5506690
Chemical ID:
5506690
Name [?]:
2-(2-methylphenoxy)-N-propyl-propanamide
SMILES [?]:
CCCNC(=O)C(C)Oc1ccccc1C
InChi [?]:
InChI=1/C13H19NO2/c1-4-9-14-13(15)11(3)16-12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,8,2,13,12,14,11,3,15,7,10,5,4,6,9/rA:16cCCCNCOCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s7;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.44669 |
Area: | 429.657 |
Solvation: | -3.29474 |
Coulombic: | -30.1214 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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