Chemical ID: 4566756

CCC(=O)N(CCC(c1ccc(cc1)OC(C)C)C(C)C)Cc2ccccc2
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue