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Chemical ID: 7264079
Chemical ID:
7264079
Name [?]:
N-[2-[(4-ethoxyphenyl)methyl-methyl-carbamoyl]ethyl]furan-2-carboxamide
SMILES [?]:
CCOc1ccc(cc1)CN(C)C(=O)CCNC(=O)c2ccco2
InChi [?]:
InChI=1/C18H22N2O4/c1-3-23-15-8-6-14(7-9-15)13-20(2)17(21)10-11-19-18(22)16-5-4-12-24-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,12,2,22,21,6,8,5,9,15,16,23,10,7,4,20,13,18,17,11,14,19,3,24/E:(6,7)(8,9)/rA:24nCCOCCCCCCCNCCOCCNCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s11;d13;s13;s15;s16;s17;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O4 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67901 |
Area: | 574.984 |
Solvation: | -4.69559 |
Coulombic: | -53.424 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 330.378 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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