Chemical ID: 4563490

CC(C)Oc1ccc(cc1)C(CCN(Cc2ccco2)C(=O)C)c3ccccc3
Chemical ID:
4563490
Name [?]:
N-(2-furylmethyl)-N-[3-(4-isopropoxyphenyl)-3-phenyl-propyl]-acetamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(CCN(Cc2ccco2)C(=O)C)c3ccccc3
InChi [?]:
InChI=1/C25H29NO3/c1-19(2)29-23-13-11-22(12-14-23)25(21-8-5-4-6-9-21)15-16-26(20(3)27)18-24-10-7-17-28-24/h4-14,17,19,25H,15-16,18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,23,27,26,28,18,25,29,17,7,9,6,10,12,13,19,15,2,21,24,8,5,16,11,14,22,20,4/E:(1,2)(5,6)(8,9)(11,12)(13,14)/rA:29cCCCOCCCCCCCCCNCCCCCOCOCCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.4598
Area:636.516
Solvation:-4.45306
Coulombic:-32.6937
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:391.503
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.77
LogP (Chemaxon):4.66

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