Chemical ID: 4571540

CC1(CC(CCO1)N(Cc2ccc(cc2)OC)C(=O)c3ccco3)C
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

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Descriptor Annotations

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