Chemical ID: 6869525

CC(C)(C)c1ccc(cc1)C(=O)OCC(=O)Nc2ccccc2
Chemical ID:
6869525
Name [?]:
phenylcarbamoylmethyl 4-tert-butylbenzoate
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)OCC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C19H21NO3/c1-19(2,3)15-11-9-14(10-12-15)18(22)23-13-17(21)20-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,20,22,19,23,7,9,6,10,14,8,5,18,15,11,2,17,16,12,13/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:23nCCCCCCCCCCCOOCCONCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO3
All Atoms:44
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4639
Area:542.602
Solvation:-3.10112
Coulombic:-43.0783
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:311.375
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.51
LogP (Chemaxon):4.3

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