Chemical ID: 6147027

CCCCc1ccc(cc1)NC(=O)COC(=O)c2ccc(c(c2)OC)OC
Chemical ID:
6147027
Name [?]:
(4-butylphenyl)carbamoylmethyl 3,4-dimethoxybenzoate
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)COC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C21H25NO5/c1-4-5-6-15-7-10-17(11-8-15)22-20(23)14-27-21(24)16-9-12-18(25-2)19(13-16)26-3/h7-13H,4-6,14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,25,2,3,4,6,10,19,7,9,20,23,14,5,18,8,21,22,12,16,11,13,17,26,24,15/E:(7,8)(10,11)/rA:27nCCCCCCCCCCNCOCOCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.35004
Area:635.974
Solvation:-6.54931
Coulombic:-55.142
Bond Count [?]
All:28
Single:20
Double:8
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:371.427
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.3
LogP (Chemaxon):3.83

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Descriptor Annotations

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