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Chemical ID: 6538432
Chemical ID:
6538432
Name [?]:
N,N-bis(2-methoxyethyl)benzamide
SMILES [?]:
COCCN(CCOC)C(=O)c1ccccc1
InChi [?]:
InChI=1/C13H19NO3/c1-16-10-8-14(9-11-17-2)13(15)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,15,14,16,13,17,4,6,3,7,12,10,5,11,2,8/E:(1,2)(4,5)(6,7)(8,9)(10,11)(16,17)/rA:17nCOCCNCCOCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.05644 |
Area: | 425.655 |
Solvation: | -5.58494 |
Coulombic: | -32.2756 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 237.295 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.19 |
LogP (Chemaxon): | 0.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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