Chemical ID: 7340374

CCCCOC(=O)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)C)C
Chemical ID:
7340374
Name [?]:
butyl 4-[(3,4-dimethylphenyl)carbamoylmethoxy]benzoate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C21H25NO4/c1-4-5-12-25-21(24)17-7-10-19(11-8-17)26-14-20(23)22-18-9-6-15(2)16(3)13-18/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,25,2,3,21,9,13,20,10,12,4,24,15,22,23,8,19,11,16,6,18,17,7,5,14/E:(7,8)(10,11)/rA:26nCCCCOCOCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO4
All Atoms:51
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7515
Area:623.543
Solvation:-4.83709
Coulombic:-48.6977
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:355.428
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.84
LogP (Chemaxon):4.57

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