Chemical ID: 4567088

CC(C)C1CC(CCO1)(CCN(Cc2ccco2)C(=O)C)c3ccccc3OC
Chemical ID:
4567088
Name [?]:
N-(2-furylmethyl)-N-[2-[2-isopropyl-4-(2-methoxyphenyl)-tetrahydropyran-4-yl]ethyl]acetamide
SMILES [?]:
CC(C)C1CC(CCO1)(CCN(Cc2ccco2)C(=O)C)c3ccccc3OC
InChi [?]:
InChI=1/C24H33NO4/c1-18(2)23-16-24(12-15-29-23,21-9-5-6-10-22(21)27-4)11-13-25(19(3)26)17-20-8-7-14-28-20/h5-10,14,18,23H,11-13,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,29,24,25,16,15,23,26,10,7,11,17,8,5,13,2,19,14,22,27,4,6,12,20,28,18,9/E:(1,2)/rA:29cCCCCCCCCOCCNCCCCCOCOCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s6;s10;s11;s12;s13;d14;s15;d16;s14s17;s12;d19;s19;s6;s22;d23;s24;d25;d22s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33NO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:9.12071
Area:596.644
Solvation:-5.7954
Coulombic:-38.6024
Bond Count [?]
All:31
Single:25
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:399.523
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.48
LogP (Chemaxon):3.45

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Descriptor Annotations

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