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Chemical ID: 5507206
Chemical ID:
5507206
Name [?]:
(4-dimethylaminophenyl)carbamoylmethyl 4-methoxybenzoate
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C18H20N2O4/c1-20(2)15-8-6-14(7-9-15)19-17(21)12-24-18(22)13-4-10-16(23-3)11-5-13/h4-11H,12H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,24,18,22,6,8,5,9,19,21,13,17,7,4,20,11,15,10,2,12,16,23,14/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:24nCNCCCCCCCNCOCOCOCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06159 |
Area: | 563.537 |
Solvation: | -5.02683 |
Coulombic: | -53.5965 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 328.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.82 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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