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Chemical ID: 6527304
Chemical ID:
6527304
Name [?]:
N-(5-acetamido-2-methoxy-phenyl)cyclopropanecarboxamide
SMILES [?]:
CC(=O)Nc1ccc(c(c1)NC(=O)C2CC2)OC
InChi [?]:
InChI=1/C13H16N2O3/c1-8(16)14-10-5-6-12(18-2)11(7-10)15-13(17)9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,18,15,16,6,7,10,2,14,5,9,8,12,4,11,3,13,17/E:(3,4)/rA:18nCCONCCCCCCNCOCCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;s14s15;s8;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.20067 |
Area: | 446.037 |
Solvation: | -3.95024 |
Coulombic: | -45.9189 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 248.278 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.65 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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