Chemical ID: 7479982

CCCCCCOc1ccc(cc1)C(=O)Nc2c(cccc2C)C
Chemical ID:
7479982
Name [?]:
N-(2,6-dimethylphenyl)-4-hexoxy-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)Nc2c(cccc2C)C
InChi [?]:
InChI=1/C21H27NO2/c1-4-5-6-7-15-24-19-13-11-18(12-14-19)21(23)22-20-16(2)9-8-10-17(20)3/h8-14H,4-7,15H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,3,4,5,20,21,19,10,12,9,13,6,22,18,11,8,17,14,16,15,7/E:(2,3)(9,10)(11,12)(13,14)(16,17)/rA:24nCCCCCCOCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27NO2
All Atoms:51
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.59
Area:583.393
Solvation:-2.99482
Coulombic:-31.2766
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:325.445
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.85
LogP (Chemaxon):4.48

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Descriptor Annotations

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