Chemical ID: 4158081

CCOc1ccccc1NC(=O)CCCOc2cc(ccc2C)C
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

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Experimental Annotations

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Descriptor Annotations

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