Chemical ID: 4563451

CC(C)Oc1ccc(cc1)C(CCN(Cc2ccco2)C(=O)C)c3ccccc3OC
Chemical ID:
4563451
Name [?]:
N-(2-furylmethyl)-N-[3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)-propyl]-acetamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(CCN(Cc2ccco2)C(=O)C)c3ccccc3OC
InChi [?]:
InChI=1/C26H31NO4/c1-19(2)31-22-13-11-21(12-14-22)24(25-9-5-6-10-26(25)29-4)15-16-27(20(3)28)18-23-8-7-17-30-23/h5-14,17,19,24H,15-16,18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,23,31,26,27,18,17,25,28,7,9,6,10,12,13,19,15,2,21,8,5,16,11,24,29,14,22,30,20,4/E:(1,2)(11,12)(13,14)/rA:31cCCCOCCCCCCCCCNCCCCCOCOCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;d16;s17;d18;s16s19;s14;d21;s21;s11;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31NO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.1179
Area:669.753
Solvation:-5.62596
Coulombic:-39.3034
Bond Count [?]
All:33
Single:24
Double:9
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:421.529
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.69
LogP (Chemaxon):4.41

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue