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Chemical ID: 5429580
Chemical ID:
5429580
Name [?]:
2-(4-formylphenoxy)-N-(isobutylcarbamoyl)acetamide
SMILES [?]:
CC(C)CNC(=O)NC(=O)COc1ccc(cc1)C=O
InChi [?]:
InChI=1/C14H18N2O4/c1-10(2)7-15-14(19)16-13(18)9-20-12-5-3-11(8-17)4-6-12/h3-6,8,10H,7,9H2,1-2H3,(H2,15,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,15,17,14,18,4,19,11,2,16,13,9,6,5,8,20,10,7,12/E:(1,2)(3,4)(5,6)/rA:20nCCCCNCONCOCOCCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.34994 |
Area: | 509.112 |
Solvation: | -7.37785 |
Coulombic: | -54.9875 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 278.304 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.97 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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