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Chemical ID: 7340374
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
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Experimental Annotations
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Descriptor Annotations
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