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Chemical ID: 7321856
Chemical ID:
7321856
Name [?]:
2-(2-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]-N-methyl-acetamide
SMILES [?]:
CN(Cc1ccccc1OC)C(=O)COc2ccccc2C#N
InChi [?]:
InChI=1/C18H18N2O3/c1-20(12-15-8-4-5-9-16(15)22-2)18(21)13-23-17-10-6-3-7-14(17)11-19/h3-10H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,19,6,7,18,20,5,8,17,22,3,14,21,4,9,16,12,23,2,13,10,15/rA:23nCNCCCCCCCOCCOCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s2;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O3 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.35776 |
Area: | 521.24 |
Solvation: | -6.67325 |
Coulombic: | -33.2977 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 310.347 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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