Chemical ID: 6032126

CC(C)N(CCC(=O)N(C)CCc1ccc(c(c1)OC)OC)C(=O)c2ccoc2
Chemical ID:
6032126
Name [?]:
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]ethyl]-N-isopropyl-furan-3-carboxamide
SMILES [?]:
CC(C)N(CCC(=O)N(C)CCc1ccc(c(c1)OC)OC)C(=O)c2ccoc2
InChi [?]:
InChI=1/C22H30N2O5/c1-16(2)24(22(26)18-10-13-29-15-18)12-9-21(25)23(3)11-8-17-6-7-19(27-4)20(14-17)28-5/h6-7,10,13-16H,8-9,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,10,22,20,14,15,12,6,26,11,5,27,18,29,2,13,25,16,17,7,23,9,4,8,24,21,19,28/E:(1,2)/rA:29nCCCNCCCONCCCCCCCCCOCOCCOCCCOC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s4;d23;s23;s25;d26;s27;d25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.17052
Area:651.066
Solvation:-7.10613
Coulombic:-52.5829
Bond Count [?]
All:30
Single:23
Double:7
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:402.484
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.96
LogP (Chemaxon):2.0

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Descriptor Annotations

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