Chemical ID: 4567041

CC(C)C(CCN(Cc1ccc(cc1)OC)C(=O)C)c2ccc(cc2)OC(C)C
Chemical ID:
4567041
Name [?]:
N-[3-(4-isopropoxyphenyl)-4-methyl-pentyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES [?]:
CC(C)C(CCN(Cc1ccc(cc1)OC)C(=O)C)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C25H35NO3/c1-18(2)25(22-9-13-24(14-10-22)29-19(3)4)15-16-26(20(5)27)17-21-7-11-23(28-6)12-8-21/h7-14,18-19,25H,15-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,28,29,19,16,10,14,21,25,11,13,22,24,5,6,8,2,27,17,9,20,12,23,4,7,18,15,26/E:(1,2)(3,4)(7,8)(9,10)(11,12)(13,14)/rA:29cCCCCCCNCCCCCCCOCCOCCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s7;d17;s17;s4;s20;d21;s22;d23;d20s24;s23;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H35NO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.823
Area:655.268
Solvation:-4.5587
Coulombic:-33.0806
Bond Count [?]
All:30
Single:23
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:397.55
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.08
LogP (Chemaxon):4.97

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Descriptor Annotations

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