Chemical ID: 4563458

Cc1ccc(cc1)C(CCN(Cc2ccc(cc2)OC)C(=O)C)c3ccc(cc3)OC(C)C
Chemical ID:
4563458
Name [?]:
N-[3-(4-isopropoxyphenyl)-3-(p-tolyl)propyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES [?]:
Cc1ccc(cc1)C(CCN(Cc2ccc(cc2)OC)C(=O)C)c3ccc(cc3)OC(C)C
InChi [?]:
InChI=1/C29H35NO3/c1-21(2)33-28-16-12-26(13-17-28)29(25-10-6-22(3)7-11-25)18-19-30(23(4)31)20-24-8-14-27(32-5)15-9-24/h6-17,21,29H,18-20H2,1-5H3
InChi Info:
AuxInfo=1/0/N:32,33,1,23,20,3,7,14,18,4,6,25,29,15,17,26,28,9,10,12,31,2,21,13,5,24,16,27,8,11,22,19,30/E:(1,2)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:33cCCCCCCCCCCNCCCCCCCOCCOCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s11;d21;s21;s8;s24;d25;s26;d27;d24s28;s27;s30;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H35NO3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.9222
Area:721.415
Solvation:-5.11319
Coulombic:-33.5472
Bond Count [?]
All:35
Single:25
Double:10
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:445.593
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.43
LogP (Chemaxon):5.93

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