Chemical ID: 6869389

CCc1ccccc1NC(=O)COC(=O)c2ccc(cc2)OC
Chemical ID:
6869389
Name [?]:
(2-ethylphenyl)carbamoylmethyl 4-methoxybenzoate
SMILES [?]:
CCc1ccccc1NC(=O)COC(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C18H19NO4/c1-3-13-6-4-5-7-16(13)19-17(20)12-23-18(21)14-8-10-15(22-2)11-9-14/h4-11H,3,12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,2,5,6,4,7,17,21,18,20,12,3,16,19,8,10,14,9,11,15,22,13/E:(8,9)(10,11)/rA:23nCCCCCCCCNCOCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO4
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.99312
Area:537.571
Solvation:-4.44616
Coulombic:-48.7163
Bond Count [?]
All:24
Single:16
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:313.348
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.3
LogP (Chemaxon):2.64

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue