Chemical ID: 5367264

CCCCOc1ccc(cc1OC)C(NC(=O)Cc2ccccc2)NC(=O)Cc3ccccc3
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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