Chemical ID: 4704917

c1ccc(cc1)COC(=O)NCC(=O)N2CCOCC2
Chemical ID:
4704917
Name [?]:
benzyl morpholinocarbonylmethylaminoformate
SMILES [?]:
c1ccc(cc1)COC(=O)NCC(=O)N2CCOCC2
InChi [?]:
InChI=1/C14H18N2O4/c17-13(16-6-8-19-9-7-16)10-15-14(18)20-11-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,20,17,19,12,7,4,13,9,11,15,14,10,18,8/E:(2,3)(4,5)(6,7)(8,9)/rA:20nCCCCCCCOCONCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.0085
Area:493.782
Solvation:-4.33604
Coulombic:-58.385
Bond Count [?]
All:21
Single:16
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:278.304
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.51
LogP (Chemaxon):0.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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