ChemDB: Chemical Search
Download
Chemical ID: 6609814
Chemical ID:
6609814
Name [?]:
(ethyl-(1-naphthyl)carbamoyl)methyl 4-butoxybenzoate
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)OCC(=O)N(CC)c2cccc3c2cccc3
InChi [?]:
InChI=1/C25H27NO4/c1-3-5-17-29-21-15-13-20(14-16-21)25(28)30-18-24(27)26(4-2)23-12-8-10-19-9-6-7-11-22(19)23/h6-16H,3-5,17-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,3,29,28,23,30,24,27,22,8,10,7,11,4,15,25,9,6,26,21,16,12,18,17,13,5,14/E:(13,14)(15,16)/rA:30nCCCCOCCCCCCCOOCCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;s19;s18;s21;d22;s23;d24;d21s25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9544 |
Area: | 666.265 |
Solvation: | -4.70218 |
Coulombic: | -46.1096 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 405.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.79 |
LogP (Chemaxon): | 4.75 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|