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Chemical ID: 5367264
Chemical ID:
5367264
Name [?]:
N-[(4-butoxy-3-methoxy-phenyl)-(2-phenylacetyl)amino-methyl]-2-phenyl-acetamide
SMILES [?]:
CCCCOc1ccc(cc1OC)C(NC(=O)Cc2ccccc2)NC(=O)Cc3ccccc3
InChi [?]:
InChI=1/C28H32N2O4/c1-3-4-17-34-24-16-15-23(20-25(24)33-2)28(29-26(31)18-21-11-7-5-8-12-21)30-27(32)19-22-13-9-6-10-14-22/h5-16,20,28H,3-4,17-19H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,13,2,3,22,32,21,23,31,33,20,24,30,34,8,7,4,18,28,10,19,29,9,6,11,16,26,14,15,25,17,27,12,5/E:(5,6)(7,8,9,10)(11,12,13,14)(18,19)(21,22)(26,27)(29,30)(31,32)/gE:(1,2)/rA:34nCCCCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s14;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32N2O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7607 |
Area: | 755.314 |
Solvation: | -8.12216 |
Coulombic: | -56.9093 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 460.565 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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