Chemical ID: 4148141

CC(C)CCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)OC
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

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Descriptor Annotations

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