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Chemical ID: 4585153
Chemical ID:
4585153
Name [?]:
ethyl 3-[(3,4-dimethoxyphenyl)methyl-methyl-amino]propanoate
SMILES [?]:
CCOC(=O)CCN(C)Cc1ccc(c(c1)OC)OC
InChi [?]:
InChI=1/C15H23NO4/c1-5-20-15(17)8-9-16(2)11-12-6-7-13(18-3)14(10-12)19-4/h6-7,10H,5,8-9,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,20,18,2,12,13,6,7,16,10,11,14,15,4,8,5,19,17,3/rA:20cCCOCOCCNCCCCCCCCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.11965 |
Area: | 512.605 |
Solvation: | -5.69549 |
Coulombic: | -37.0964 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 281.347 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.62 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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