Chemical ID: 6351365

COc1ccc(c(c1)OC)C(=O)N(C2CCCCC2)C3CCCCC3
Chemical ID:
6351365
Name [?]:
N,N-dicyclohexyl-2,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)N(C2CCCCC2)C3CCCCC3
InChi [?]:
InChI=1/C21H31NO3/c1-24-18-13-14-19(20(15-18)25-2)21(23)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h13-17H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,23,16,18,22,24,15,19,21,25,4,5,8,14,20,3,6,7,11,13,12,2,9/E:(3,4)(5,6,7,8)(9,10,11,12)(16,17)/rA:25nCOCCCCCCOCCONCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;s15;s16;s17;s14s18;s13;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H31NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.99619
Area:528.603
Solvation:-4.21887
Coulombic:-33.0045
Bond Count [?]
All:27
Single:23
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:345.476
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.05
LogP (Chemaxon):3.86

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Descriptor Annotations

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