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Chemical ID: 6620672
Chemical ID:
6620672
Name [?]:
methyl 3-[(2-methyl-1-naphthyl)amino]propanoate
SMILES [?]:
Cc1ccc2ccccc2c1NCCC(=O)OC
InChi [?]:
InChI=1/C15H17NO2/c1-11-7-8-12-5-3-4-6-13(12)15(11)16-10-9-14(17)18-2/h3-8,16H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,7,8,6,9,3,4,14,13,2,5,10,15,11,12,16,17/rA:18nCCCCCCCCCCCNCCCOOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s11;s12;s13;s14;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71652 |
Area: | 443.145 |
Solvation: | -2.3621 |
Coulombic: | -30.8971 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.301 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.45 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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