Chemical ID: 5340550

Cc1ccc(cc1)NC(=O)COC(=O)C2CCC2
Chemical ID:
5340550
Name [?]:
p-tolylcarbamoylmethyl cyclobutanecarboxylate
SMILES [?]:
Cc1ccc(cc1)NC(=O)COC(=O)C2CCC2
InChi [?]:
InChI=1/C14H17NO3/c1-10-5-7-12(8-6-10)15-13(16)9-18-14(17)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,3,7,4,6,11,2,15,5,9,13,8,10,14,12/E:(3,4)(5,6)(7,8)/rA:18nCCCCCCCNCOCOCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s15s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.20407
Area:456.617
Solvation:-3.21134
Coulombic:-39.3215
Bond Count [?]
All:19
Single:14
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:247.29
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.19
LogP (Chemaxon):2.5

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Descriptor Annotations

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