ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate

C17H25NO3 — CID 64670120

IUPACethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc2c(c1)CCCC2NC
InChIInChI=1S/C17H25NO3/c1-4-16(17(19)20-5-2)21-13-9-10-14-12(11-13)7-6-8-15(14)18-3/h9-11,15-16,18H,4-8H2,1-3H3
InChIKeyVPDZWZLPOZKDCQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.00
Rot. Bonds6

About ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate

ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate (PubChem CID 64670120) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
PubChem CID64670120
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc2c(c1)CCCC2NC
InChIInChI=1S/C17H25NO3/c1-4-16(17(19)20-5-2)21-13-9-10-14-12(11-13)7-6-8-15(14)18-3/h9-11,15-16,18H,4-8H2,1-3H3
InChIKeyVPDZWZLPOZKDCQ-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate?
The IUPAC name of ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate (CID 64670120) is ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate.
What is the SMILES notation for ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate?
The canonical SMILES for ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate is CCOC(=O)C(CC)Oc1ccc2c(c1)CCCC2NC.
What is the InChIKey of ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate?
The InChIKey is VPDZWZLPOZKDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-16(17(19)20-5-2)21-13-9-10-14-12(11-13)7-6-8-15(14)18-3/h9-11,15-16,18H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate?
ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate has a molecular weight of 291.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate is sourced from PubChem (CID 64670120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).