Chemical ID: 4153708

CCCOC(=O)c1cccc(c1)NC(=O)CCCOc2ccc(cc2)C
Chemical ID:
4153708
Name [?]:
propyl 3-[4-(4-methylphenoxy)butanoylamino]benzoate
SMILES [?]:
CCCOC(=O)c1cccc(c1)NC(=O)CCCOc2ccc(cc2)C
InChi [?]:
InChI=1/C21H25NO4/c1-3-13-26-21(24)17-6-4-7-18(15-17)22-20(23)8-5-14-25-19-11-9-16(2)10-12-19/h4,6-7,9-12,15H,3,5,8,13-14H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,2,9,17,8,10,16,22,24,21,25,3,18,12,23,7,11,20,14,5,13,15,6,19,4/E:(9,10)(11,12)/rA:26nCCCOCOCCCCCCNCOCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1419
Area:628.236
Solvation:-4.56402
Coulombic:-47.9916
Bond Count [?]
All:27
Single:19
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:355.428
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.34
LogP (Chemaxon):4.13

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