2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid

C16H17NO4 — CID 43505649

IUPAC2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
SMILESCCN(C)C(=O)COc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C16H17NO4/c1-3-17(2)14(18)10-21-13-9-8-11-6-4-5-7-12(11)15(13)16(19)20/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyALIWUBJJRADNOJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.40
Rot. Bonds5

About 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid

2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid (PubChem CID 43505649) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
PubChem CID43505649
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
SMILESCCN(C)C(=O)COc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C16H17NO4/c1-3-17(2)14(18)10-21-13-9-8-11-6-4-5-7-12(11)15(13)16(19)20/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyALIWUBJJRADNOJ-UHFFFAOYSA-N
XLogP2.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide
CID 43505701
2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid
CID 964401
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide
CID 39949555
2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid
CID 43505650
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
CID 79156299
2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 22685904
2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone
CID 82051032
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide
CID 43505758
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-4-methylbenzoic acid
CID 61379950
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]naphthalene-1-carboxylic acid
CID 43505628

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid?
The IUPAC name of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid (CID 43505649) is 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid is CCN(C)C(=O)COc1ccc2ccccc2c1C(=O)O.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid?
The InChIKey is ALIWUBJJRADNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-17(2)14(18)10-21-13-9-8-11-6-4-5-7-12(11)15(13)16(19)20/h4-9H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid?
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid is sourced from PubChem (CID 43505649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).