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Chemical ID: 4566756
Chemical ID:
4566756
Name [?]:
N-benzyl-N-[3-(4-isopropoxyphenyl)-4-methyl-pentyl]-propanamide
SMILES [?]:
CCC(=O)N(CCC(c1ccc(cc1)OC(C)C)C(C)C)Cc2ccccc2
InChi [?]:
InChI=1/C25H35NO2/c1-6-25(27)26(18-21-10-8-7-9-11-21)17-16-24(19(2)3)22-12-14-23(15-13-22)28-20(4)5/h7-15,19-20,24H,6,16-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,20,21,17,18,2,26,25,27,24,28,10,14,11,13,7,6,22,19,16,23,9,12,8,3,5,4,15/E:(2,3)(4,5)(8,9)(10,11)(12,13)(14,15)/rA:28cCCCONCCCCCCCCCOCCCCCCCCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H35NO2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.508 |
Area: | 635.102 |
Solvation: | -3.36952 |
Coulombic: | -27.2362 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 381.551 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.42 |
LogP (Chemaxon): | 5.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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