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Chemical ID: 4148141
Chemical ID:
4148141
Name [?]:
isopentyl 4-[2-(4-methoxyphenoxy)acetyl]aminobenzoate
SMILES [?]:
CC(C)CCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)OC
InChi [?]:
InChI=1/C21H25NO5/c1-15(2)12-13-26-21(24)16-4-6-17(7-5-16)22-20(23)14-27-19-10-8-18(25-3)9-11-19/h4-11,15H,12-14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,27,10,14,11,13,22,24,21,25,4,5,18,2,9,12,23,20,16,7,15,17,8,26,6,19/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCOCOCCCCCCNCOCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97985 |
Area: | 639.461 |
Solvation: | -6.00666 |
Coulombic: | -55.7049 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 371.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.38 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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