Chemical ID: 6147284

Cc1ccc(c(c1)NC(=O)COC(=O)c2ccc(c(c2)C)C)C
Chemical ID:
6147284
Name [?]:
(2,5-dimethylphenyl)carbamoylmethyl 3,4-dimethylbenzoate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COC(=O)c2ccc(c(c2)C)C)C
InChi [?]:
InChI=1/C19H21NO3/c1-12-5-6-14(3)17(9-12)20-18(21)11-23-19(22)16-8-7-13(2)15(4)10-16/h5-10H,11H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,3,4,17,16,7,20,11,2,18,5,19,15,6,9,13,8,10,14,12/rA:23nCCCCCCCNCOCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4637
Area:541.641
Solvation:-3.07728
Coulombic:-41.7319
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:311.375
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.23
LogP (Chemaxon):3.89

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Descriptor Annotations

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