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Chemical ID: 6902052
Chemical ID:
6902052
Name [?]:
(4-ethylphenyl)carbamoylmethyl 4-methylbenzoate
SMILES [?]:
CCc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C18H19NO3/c1-3-14-6-10-16(11-7-14)19-17(20)12-22-18(21)15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,18,20,4,8,17,21,5,7,12,19,3,16,6,10,14,9,11,15,13/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCCCCCCCNCOCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO3 |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1719 |
Area: | 530.942 |
Solvation: | -3.10165 |
Coulombic: | -42.3363 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.03 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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