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Chemical ID: 6876117
Chemical ID:
6876117
Name [?]:
(2,5-dimethylphenyl)carbamoylmethyl 3-methylbenzoate
SMILES [?]:
Cc1cccc(c1)C(=O)OCC(=O)Nc2cc(ccc2C)C
InChi [?]:
InChI=1/C18H19NO3/c1-12-5-4-6-15(9-12)18(21)22-11-17(20)19-16-10-13(2)7-8-14(16)3/h4-10H,11H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,21,4,3,5,18,19,7,16,11,2,17,20,6,15,12,8,14,13,9,10/rA:22nCCCCCCCCOOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO3 |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0591 |
Area: | 525.177 |
Solvation: | -3.07031 |
Coulombic: | -41.9452 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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