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Chemical ID: 4566806
Chemical ID:
4566806
Name [?]:
N-[(4-isopropoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methyl-pentyl]-propanamide
SMILES [?]:
CCC(=O)N(CCC(c1ccc(cc1)OC)C(C)C)Cc2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C26H37NO3/c1-7-26(28)27(18-21-8-12-24(13-9-21)30-20(4)5)17-16-25(19(2)3)22-10-14-23(29-6)15-11-22/h8-15,19-20,25H,7,16-18H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,18,19,29,30,16,2,22,26,10,14,23,25,11,13,7,6,20,17,28,21,9,12,24,8,3,5,4,15,27/E:(2,3)(4,5)(8,9)(10,11)(12,13)(14,15)/rA:30cCCCONCCCCCCCCCOCCCCCCCCCCCOCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s8;s17;s17;s5;s20;s21;d22;s23;d24;d21s25;s24;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H37NO3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1753 |
Area: | 675.092 |
Solvation: | -4.70204 |
Coulombic: | -33.4679 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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