Chemical ID: 7037962

CCOc1cc(ccc1OC)C(NC(=O)Cc2ccccc2)NC(=O)Cc3ccccc3
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

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Descriptor Annotations

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