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Chemical ID: 4482957
Chemical ID:
4482957
Name [?]:
N'-(5-hydroxypentyl)-N-(1-phenylethyl)oxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)C(=O)NCCCCCO
InChi [?]:
InChI=1/C15H22N2O3/c1-12(13-8-4-2-5-9-13)17-15(20)14(19)16-10-6-3-7-11-18/h2,4-5,8-9,12,18H,3,6-7,10-11H2,1H3,(H,16,19)(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,6,17,5,7,16,18,4,8,15,19,2,3,12,10,14,9,20,13,11/E:(4,5)(8,9)/rA:20cCCCCCCCCNCOCONCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;d12;s12;s14;s15;s16;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0845 |
Area: | 527.988 |
Solvation: | -3.1152 |
Coulombic: | -65.3817 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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