Chemical ID: 4566732

CCC(=O)N(CCC(c1ccc(cc1)OC(C)C)C(C)C)Cc2ccc(cc2)OC
Chemical ID:
4566732
Name [?]:
N-[3-(4-isopropoxyphenyl)-4-methyl-pentyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILES [?]:
CCC(=O)N(CCC(c1ccc(cc1)OC(C)C)C(C)C)Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C26H37NO3/c1-7-26(28)27(18-21-8-12-23(29-6)13-9-21)17-16-25(19(2)3)22-10-14-24(15-11-22)30-20(4)5/h8-15,19-20,25H,7,16-18H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,20,21,17,18,30,2,24,28,10,14,25,27,11,13,7,6,22,19,16,23,9,26,12,8,3,5,4,29,15/E:(2,3)(4,5)(8,9)(10,11)(12,13)(14,15)/rA:30cCCCONCCCCCCCCCOCCCCCCCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s16;s8;s19;s19;s5;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H37NO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.2363
Area:675.141
Solvation:-4.64226
Coulombic:-33.5378
Bond Count [?]
All:31
Single:24
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:411.577
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.33
LogP (Chemaxon):5.6

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Descriptor Annotations

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