Chemical ID: 4585153

CCOC(=O)CCN(C)Cc1ccc(c(c1)OC)OC
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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