Chemical ID: 6876117

Cc1cccc(c1)C(=O)OCC(=O)Nc2cc(ccc2C)C
Chemical ID:
6876117
Name [?]:
(2,5-dimethylphenyl)carbamoylmethyl 3-methylbenzoate
SMILES [?]:
Cc1cccc(c1)C(=O)OCC(=O)Nc2cc(ccc2C)C
InChi [?]:
InChI=1/C18H19NO3/c1-12-5-4-6-15(9-12)18(21)22-11-17(20)19-16-10-13(2)7-8-14(16)3/h4-10H,11H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,21,4,3,5,18,19,7,16,11,2,17,20,6,15,12,8,14,13,9,10/rA:22nCCCCCCCCOOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO3
All Atoms:41
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0591
Area:525.177
Solvation:-3.07031
Coulombic:-41.9452
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.8
LogP (Chemaxon):3.43

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