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Chemical ID: 7284701
Chemical ID:
7284701
Name [?]:
N,N-diethyl-4-[2-(4-isopropylphenoxy)acetyl]amino-benzamide
SMILES [?]:
CCN(CC)C(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C22H28N2O3/c1-5-24(6-2)22(26)18-7-11-19(12-8-18)23-21(25)15-27-20-13-9-17(10-14-20)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,5,26,27,2,4,9,13,21,23,10,12,20,24,17,25,22,8,11,19,15,6,14,3,16,7,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCNCCCOCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O3 |
All Atoms: | 55 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7413 |
Area: | 624.816 |
Solvation: | -4.8791 |
Coulombic: | -46.4977 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 368.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.47 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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