Chemical ID: 7010034

CCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
Chemical ID:
7010034
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
CCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C26H28N2O4/c1-5-32-22-15-14-21(16-23(22)31-4)24(27-25(29)19-10-6-17(2)7-11-19)28-26(30)20-12-8-18(3)9-13-20/h6-16,24H,5H2,1-4H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,22,32,11,2,18,20,28,30,17,21,27,31,6,5,8,19,29,16,26,7,4,9,12,14,24,13,23,15,25,10,3/E:(2,3)(6,7,8,9)(10,11,12,13)(17,18)(19,20)(25,26)(27,28)(29,30)/gE:(1,2)/rA:32nCCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N2O4
All Atoms:60
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.7986
Area:696.483
Solvation:-6.61351
Coulombic:-59.7239
Bond Count [?]
All:34
Single:23
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:432.512
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.45
LogP (Chemaxon):4.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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