Chemical ID: 4121460

Cc1ccccc1NC(=O)COc2ccc(cc2OC)C=O
Chemical ID:
4121460
Name [?]:
2-(4-formyl-2-methoxy-phenoxy)-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2ccc(cc2OC)C=O
InChi [?]:
InChI=1/C17H17NO4/c1-12-5-3-4-6-14(12)18-17(20)11-22-15-8-7-13(10-19)9-16(15)21-2/h3-10H,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,4,5,3,6,15,14,17,21,11,2,16,7,13,18,9,8,22,10,19,12/rA:22nCCCCCCCNCOCOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.03234
Area:514.401
Solvation:-7.82769
Coulombic:-40.8382
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.24
LogP (Chemaxon):2.12

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Descriptor Annotations

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