Chemical ID: 7311199

Cc1ccc(cc1NC(=O)C2CCCC2)C(=O)OC
Chemical ID:
7311199
Name [?]:
methyl 3-cyclopentylcarbonylamino-4-methyl-benzoate
SMILES [?]:
Cc1ccc(cc1NC(=O)C2CCCC2)C(=O)OC
InChi [?]:
InChI=1/C15H19NO3/c1-10-7-8-12(15(18)19-2)9-13(10)16-14(17)11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,19,13,14,12,15,3,4,6,2,11,5,7,9,16,8,10,17,18/E:(3,4)(5,6)/rA:19nCCCCCCCNCOCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s11s14;s5;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19NO3
All Atoms:38
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.85659
Area:461.013
Solvation:-2.66873
Coulombic:-40.362
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.316
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.78
LogP (Chemaxon):2.22

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Descriptor Annotations

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