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Chemical ID: 7317716
Chemical ID:
7317716
Name [?]:
N-[2-[(2-methoxyphenyl)methylcarbamoyl]ethyl]furan-2-carboxamide
SMILES [?]:
COc1ccccc1CNC(=O)CCNC(=O)c2ccco2
InChi [?]:
InChI=1/C16H18N2O4/c1-21-13-6-3-2-5-12(13)11-18-15(19)8-9-17-16(20)14-7-4-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,5,20,7,4,19,13,14,21,9,8,3,18,11,16,15,10,12,17,2,22/rA:22nCOCCCCCCCNCOCCNCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s16;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O4 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60648 |
Area: | 535.866 |
Solvation: | -4.79018 |
Coulombic: | -57.8607 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 302.325 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.08 |
LogP (Chemaxon): | 0.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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