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Chemical ID: 4158081
Chemical ID:
4158081
Name [?]:
4-(2,5-dimethylphenoxy)-N-(2-ethoxyphenyl)-butanamide
SMILES [?]:
CCOc1ccccc1NC(=O)CCCOc2cc(ccc2C)C
InChi [?]:
InChI=1/C20H25NO3/c1-4-23-18-9-6-5-8-17(18)21-20(22)10-7-13-24-19-14-15(2)11-12-16(19)3/h5-6,8-9,11-12,14H,4,7,10,13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,23,2,7,6,14,8,5,13,20,21,15,18,19,22,9,4,17,11,10,12,3,16/rA:24nCCOCCCCCCNCOCCCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1414 |
Area: | 580.822 |
Solvation: | -4.37913 |
Coulombic: | -36.2082 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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