Chemical ID: 4567046

CC(C)C(CCN(Cc1ccc(cc1)OC(C)C)C(=O)C)c2ccc(cc2)OC
Chemical ID:
4567046
Name [?]:
N-[(4-isopropoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methyl-pentyl]-acetamide
SMILES [?]:
CC(C)C(CCN(Cc1ccc(cc1)OC(C)C)C(=O)C)c2ccc(cc2)OC
InChi [?]:
InChI=1/C25H35NO3/c1-18(2)25(22-9-13-23(28-6)14-10-22)15-16-26(20(5)27)17-21-7-11-24(12-8-21)29-19(3)4/h7-14,18-19,25H,15-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,21,29,10,14,23,27,11,13,24,26,5,6,8,2,16,19,9,22,25,12,4,7,20,28,15/E:(1,2)(3,4)(7,8)(9,10)(11,12)(13,14)/rA:29cCCCCCCNCCCCCCCOCCCCOCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s16;s7;d19;s19;s4;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H35NO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.7319
Area:654.379
Solvation:-4.62761
Coulombic:-33.0082
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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