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Chemical ID: 7267278
Chemical ID:
7267278
Name [?]:
2-[[2-(4-benzoylphenoxy)acetyl]-ethyl-amino]-N-tert-butyl-acetamide
SMILES [?]:
CCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(cc1)C(=O)c2ccccc2
InChi [?]:
InChI=1/C23H28N2O4/c1-5-25(15-20(26)24-23(2,3)4)21(27)16-29-19-13-11-18(12-14-19)22(28)17-9-7-6-8-10-17/h6-14H,5,15-16H2,1-4H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,9,10,11,2,27,26,28,25,29,18,20,17,21,4,14,24,19,16,5,12,22,8,7,3,6,13,23,15/E:(2,3,4)(7,8)(9,10)(11,12)(13,14)/rA:29nCCNCCONCCCCCOCOCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s8;s8;s3;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N2O4 |
All Atoms: | 57 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2968 |
Area: | 654.395 |
Solvation: | -6.06304 |
Coulombic: | -54.4417 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 396.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.7 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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