Chemical ID: 7037982

Cc1ccc(cc1)C(=O)NC(c2ccc(c(c2)OC)OC(C)C)NC(=O)c3ccc(cc3)C
Chemical ID:
7037982
Name [?]:
N-[(4-isopropoxy-3-methoxy-phenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(c2ccc(c(c2)OC)OC(C)C)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C27H30N2O4/c1-17(2)33-23-15-14-22(16-24(23)32-5)25(28-26(30)20-10-6-18(3)7-11-20)29-27(31)21-12-8-19(4)9-13-21/h6-17,25H,1-5H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:22,23,1,33,19,3,7,29,31,4,6,28,32,13,14,17,21,2,30,5,27,12,15,16,11,8,25,10,24,9,26,18,20/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(18,19)(20,21)(26,27)(28,29)(30,31)/gE:(1,2)/rA:33nCCCCCCCCONCCCCCCCOCOCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s21;s21;s11;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O4
All Atoms:63
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.2438
Area:711.995
Solvation:-6.55612
Coulombic:-59.9406
Bond Count [?]
All:35
Single:24
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:446.538
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.91
LogP (Chemaxon):5.01

Name Annotations

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Descriptor Annotations

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