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Chemical ID: 6432465
Chemical ID:
6432465
Name [?]:
N-[acetamido-(4-ethoxyphenyl)-methyl]acetamide
SMILES [?]:
CCOc1ccc(cc1)C(NC(=O)C)NC(=O)C
InChi [?]:
InChI=1/C13H18N2O3/c1-4-18-12-7-5-11(6-8-12)13(14-9(2)16)15-10(3)17/h5-8,13H,4H2,1-3H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,14,18,2,6,8,5,9,12,16,7,4,10,11,15,13,17,3/E:(2,3)(5,6)(7,8)(9,10)(14,15)(16,17)/gE:(1,2)/rA:18nCCOCCCCCCCNCOCNCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s10;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.54852 |
Area: | 458.041 |
Solvation: | -4.9025 |
Coulombic: | -46.1121 |
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: | 1.5 |
LogP (Chemaxon): | 0.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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