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Chemical ID: 4571540
Chemical ID:
4571540
Name [?]:
N-(2,2-dimethyltetrahydropyran-4-yl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILES [?]:
CC1(CC(CCO1)N(Cc2ccc(cc2)OC)C(=O)c3ccco3)C
InChi [?]:
InChI=1/C20H25NO4/c1-20(2)13-16(10-12-25-20)21(19(22)18-5-4-11-24-18)14-15-6-8-17(23-3)9-7-15/h4-9,11,16H,10,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,17,22,21,11,15,12,14,5,23,6,3,9,10,4,13,20,18,2,8,19,16,24,7/E:(1,2)(6,7)(8,9)/rA:25cCCCCCCONCCCCCCCOCCOCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s4;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s8;d18;s18;d20;s21;d22;s20s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.28926 |
Area: | 527.438 |
Solvation: | -4.89669 |
Coulombic: | -41.8435 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 343.417 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.12 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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