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Chemical ID: 6527310
Chemical ID:
6527310
Name [?]:
N-(5-acetamido-2-methoxy-phenyl)butanamide
SMILES [?]:
CCCC(=O)Nc1cc(ccc1OC)NC(=O)C
InChi [?]:
InChI=1/C13H18N2O3/c1-4-5-13(17)15-11-8-10(14-9(2)16)6-7-12(11)18-3/h6-8H,4-5H2,1-3H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,18,14,2,3,10,11,8,16,9,7,12,4,15,6,17,5,13/rA:18nCCCCONCCCCCCOCNCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s9;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.5392 |
Area: | 454.325 |
Solvation: | -3.81892 |
Coulombic: | -46.2154 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 250.294 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.27 |
LogP (Chemaxon): | 1.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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