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Chemical ID: 4968025
Chemical ID:
4968025
Name [?]:
N,N-bis(2-hydroxyethyl)-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)N(CCO)CCO
InChi [?]:
InChI=1/C12H17NO3/c14-8-6-13(7-9-15)12(16)10-11-4-2-1-3-5-11/h1-5,14-15H,6-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,14,12,15,7,4,8,10,13,16,9/E:(2,3)(4,5)(6,7)(8,9)(14,15)/rA:16nCCCCCCCCONCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s10;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.75049 |
Area: | 414.77 |
Solvation: | -4.61875 |
Coulombic: | -49.1341 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 223.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.04 |
LogP (Chemaxon): | 0.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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