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Chemical ID: 7038038
Chemical ID:
7038038
Name [?]:
N-[(4-isopentyloxy-3-methoxy-phenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(c2ccc(c(c2)OC)OCCC(C)C)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C29H34N2O4/c1-19(2)16-17-35-25-15-14-24(18-26(25)34-5)27(30-28(32)22-10-6-20(3)7-11-22)31-29(33)23-12-8-21(4)9-13-23/h6-15,18-19,27H,16-17H2,1-5H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:24,25,1,35,19,3,7,31,33,4,6,30,34,13,14,22,21,17,23,2,32,5,29,12,15,16,11,8,27,10,26,9,28,18,20/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(20,21)(22,23)(28,29)(30,31)(32,33)/gE:(1,2)/rA:35nCCCCCCCCONCCCCCCCOCOCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s21;s22;s23;s23;s11;s26;d27;s27;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34N2O4 |
All Atoms: | 69 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5841 |
Area: | 765.888 |
Solvation: | -6.56313 |
Coulombic: | -60.8021 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 474.591 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.89 |
LogP (Chemaxon): | 5.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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