Chemical ID: 4184287

c1ccc(cc1)CCNC(=O)C(=O)NCC2CCCO2
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue