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Chemical ID: 6335826
Chemical ID:
6335826
Name [?]:
N-[3-[4-(3-propanoylaminophenoxy)phenoxy]phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1cccc(c1)Oc2ccc(cc2)Oc3cccc(c3)NC(=O)CC
InChi [?]:
InChI=1/C24H24N2O4/c1-3-23(27)25-17-7-5-9-21(15-17)29-19-11-13-20(14-12-19)30-22-10-6-8-18(16-22)26-24(28)4-2/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,2,29,8,22,7,23,9,21,14,18,15,17,11,25,6,24,13,16,10,20,3,27,5,26,4,28,12,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:30nCCCONCCCCCCOCCCCCCOCCCCCCNCOCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s22;d23;d20s24;s24;s26;d27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2088 |
Area: | 649.92 |
Solvation: | -5.03923 |
Coulombic: | -54.9597 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 404.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.0 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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