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Chemical ID: 7037962
Chemical ID:
7037962
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)-(2-phenylacetyl)amino-methyl]-2-phenyl-acetamide
SMILES [?]:
CCOc1cc(ccc1OC)C(NC(=O)Cc2ccccc2)NC(=O)Cc3ccccc3
InChi [?]:
InChI=1/C26H28N2O4/c1-3-32-23-18-21(14-15-22(23)31-2)26(27-24(29)16-19-10-6-4-7-11-19)28-25(30)17-20-12-8-5-9-13-20/h4-15,18,26H,3,16-17H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,11,2,20,30,19,21,29,31,18,22,28,32,7,8,16,26,5,17,27,6,9,4,14,24,12,13,23,15,25,10,3/E:(4,5)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(24,25)(27,28)(29,30)/gE:(1,2)/rA:32nCCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s12;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O4 |
All Atoms: | 60 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41521 |
Area: | 703.101 |
Solvation: | -8.16231 |
Coulombic: | -56.1133 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 432.512 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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