Chemical ID: 7301053

CN(C)c1ccc(cc1)C(=O)OCC(=O)NC2CCCC2
Chemical ID:
7301053
Name [?]:
cyclopentylcarbamoylmethyl 4-dimethylaminobenzoate
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)OCC(=O)NC2CCCC2
InChi [?]:
InChI=1/C16H22N2O3/c1-18(2)14-9-7-12(8-10-14)16(20)21-11-15(19)17-13-5-3-4-6-13/h7-10,13H,3-6,11H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,18,21,6,8,5,9,13,7,17,4,14,10,16,2,15,11,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:21nCNCCCCCCCCOOCCONCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O3
All Atoms:43
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.76599
Area:521.714
Solvation:-3.27686
Coulombic:-47.6619
Bond Count [?]
All:22
Single:17
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:290.358
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.6
LogP (Chemaxon):1.97

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