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Chemical ID: 4184287
Chemical ID:
4184287
Name [?]:
N-phenethyl-N'-(tetrahydrofuran-2-ylmethyl)oxamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)C(=O)NCC2CCCO2
InChi [?]:
InChI=1/C15H20N2O3/c18-14(15(19)17-11-13-7-4-10-20-13)16-9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,3,5,17,7,8,19,15,4,16,10,12,9,14,11,13,20/E:(2,3)(5,6)/rA:20cCCCCCCCCNCOCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;d12;s12;s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.4797 |
Area: | 510.891 |
Solvation: | -3.29257 |
Coulombic: | -56.0557 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 276.331 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.11 |
LogP (Chemaxon): | 0.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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