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Chemical ID: 6476222
Chemical ID:
6476222
Name [?]:
ethyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate
SMILES [?]:
CCOC(=O)CCNC(=O)Nc1cc(ccc1OC)OC
InChi [?]:
InChI=1/C14H20N2O5/c1-4-21-13(17)7-8-15-14(18)16-11-9-10(19-2)5-6-12(11)20-3/h5-6,9H,4,7-8H2,1-3H3,(H2,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,21,19,2,15,16,6,7,13,14,12,17,4,9,8,11,5,10,20,18,3/rA:21nCCOCOCCNCONCCCCCCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s14;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O5 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59555 |
Area: | 523.957 |
Solvation: | -5.50338 |
Coulombic: | -65.6112 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 296.319 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.03 |
LogP (Chemaxon): | 0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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