diethylamino 2-hydroxynaphthalene-1-carboxylate

C15H17NO3 — CID 22369256

IUPACdiethylamino 2-hydroxynaphthalene-1-carboxylate
SMILESCCN(CC)OC(=O)c1c(O)ccc2ccccc12
InChIInChI=1S/C15H17NO3/c1-3-16(4-2)19-15(18)14-12-8-6-5-7-11(12)9-10-13(14)17/h5-10,17H,3-4H2,1-2H3
InChIKeyAMRYWKBHKDFATP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.96
Rot. Bonds4

About diethylamino 2-hydroxynaphthalene-1-carboxylate

diethylamino 2-hydroxynaphthalene-1-carboxylate (PubChem CID 22369256) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is diethylamino 2-hydroxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namediethylamino 2-hydroxynaphthalene-1-carboxylate
PubChem CID22369256
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namediethylamino 2-hydroxynaphthalene-1-carboxylate
SMILESCCN(CC)OC(=O)c1c(O)ccc2ccccc12
InChIInChI=1S/C15H17NO3/c1-3-16(4-2)19-15(18)14-12-8-6-5-7-11(12)9-10-13(14)17/h5-10,17H,3-4H2,1-2H3
InChIKeyAMRYWKBHKDFATP-UHFFFAOYSA-N
XLogP2.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
2-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279236
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786
diethylamino 2-(2-hydroxybenzoyl)benzoate
CID 87068636
methyl 2-[(2-hydroxyphenyl)methyl]naphthalene-1-carboxylate
CID 15483504
3-(2-hydroxynaphthalene-1-carbonyl)oxynaphthalene-2-carboxylic acid
CID 57176431
2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride
CID 67630986
1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol
CID 135766896
(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid
CID 82263015
1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone
CID 157383372
2-hydroxynaphthalene-1-carboxylic acid;naphthalene-1-sulfonic acid
CID 175565769
diethylamino 2-nitrosobenzoate
CID 134930377

Frequently Asked Questions

What is the IUPAC name of diethylamino 2-hydroxynaphthalene-1-carboxylate?
The IUPAC name of diethylamino 2-hydroxynaphthalene-1-carboxylate (CID 22369256) is diethylamino 2-hydroxynaphthalene-1-carboxylate.
What is the SMILES notation for diethylamino 2-hydroxynaphthalene-1-carboxylate?
The canonical SMILES for diethylamino 2-hydroxynaphthalene-1-carboxylate is CCN(CC)OC(=O)c1c(O)ccc2ccccc12.
What is the InChIKey of diethylamino 2-hydroxynaphthalene-1-carboxylate?
The InChIKey is AMRYWKBHKDFATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-16(4-2)19-15(18)14-12-8-6-5-7-11(12)9-10-13(14)17/h5-10,17H,3-4H2,1-2H3.
What are the key properties of diethylamino 2-hydroxynaphthalene-1-carboxylate?
diethylamino 2-hydroxynaphthalene-1-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino 2-hydroxynaphthalene-1-carboxylate is sourced from PubChem (CID 22369256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).