ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate

C18H21NO2 — CID 57289580

IUPACethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate
SMILESCCOC(=O)C=CC(C)C(N)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c1-3-21-17(20)11-8-13(2)18(19)16-10-9-14-6-4-5-7-15(14)12-16/h4-13,18H,3,19H2,1-2H3
InChIKeyOVSQLODODADXTF-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.60
Rot. Bonds5

About ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate

ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate (PubChem CID 57289580) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate.

Molecular Properties

Compound Nameethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate
PubChem CID57289580
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate
SMILESCCOC(=O)C=CC(C)C(N)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c1-3-21-17(20)11-8-13(2)18(19)16-10-9-14-6-4-5-7-15(14)12-16/h4-13,18H,3,19H2,1-2H3
InChIKeyOVSQLODODADXTF-UHFFFAOYSA-N
XLogP3.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl (E)-3-naphthalen-2-ylsulfanylprop-2-enoate
CID 134997345
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
2-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 64541977
ethyl (E)-4-naphthalen-2-ylsulfanylbut-2-enoate
CID 80546290
methyl 2-[amino(naphthalen-2-yl)methyl]butanoate
CID 116946047
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
ethyl 2-(1-naphthalen-2-ylethylamino)acetate
CID 60680493
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
ethyl [naphthalen-2-yl(phenyl)methyl] carbonate
CID 67900296

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate?
The IUPAC name of ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate (CID 57289580) is ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate.
What is the SMILES notation for ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate?
The canonical SMILES for ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate is CCOC(=O)C=CC(C)C(N)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate?
The InChIKey is OVSQLODODADXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-21-17(20)11-8-13(2)18(19)16-10-9-14-6-4-5-7-15(14)12-16/h4-13,18H,3,19H2,1-2H3.
What are the key properties of ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate?
ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate has a molecular weight of 283.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate is sourced from PubChem (CID 57289580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).