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Chemical ID: 6351365
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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