N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide

C17H19NO4 — CID 146414088

IUPACN,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide
SMILESCCN(CC)C(=O)COc1ccc2c(C=O)c(O)ccc2c1
InChIInChI=1S/C17H19NO4/c1-3-18(4-2)17(21)11-22-13-6-7-14-12(9-13)5-8-16(20)15(14)10-19/h5-10,20H,3-4,11H2,1-2H3
InChIKeyVDHNPEHDKUIBQF-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.61
Rot. Bonds6

About N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide

N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide (PubChem CID 146414088) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide
PubChem CID146414088
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide
SMILESCCN(CC)C(=O)COc1ccc2c(C=O)c(O)ccc2c1
InChIInChI=1S/C17H19NO4/c1-3-18(4-2)17(21)11-22-13-6-7-14-12(9-13)5-8-16(20)15(14)10-19/h5-10,20H,3-4,11H2,1-2H3
InChIKeyVDHNPEHDKUIBQF-UHFFFAOYSA-N
XLogP2.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid
CID 88947014
N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide
CID 82362951
N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
CID 79794503
6-[6-[5-(4-ethoxyphenyl)pentanoyl]-2-pyridinyl]-2-hydroxynaphthalene-1-carbaldehyde
CID 137099107
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
CID 770841
N,N-diethyl-2-[4-(ethylaminomethyl)phenoxy]acetamide
CID 43276989
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693
2-(3,5-dichlorophenoxy)-N,N-diethylacetamide
CID 84603845
7-ethyl-2-hydroxynaphthalene-1-carbaldehyde
CID 89338488

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide?
The IUPAC name of N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide (CID 146414088) is N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide is CCN(CC)C(=O)COc1ccc2c(C=O)c(O)ccc2c1.
What is the InChIKey of N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide?
The InChIKey is VDHNPEHDKUIBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-18(4-2)17(21)11-22-13-6-7-14-12(9-13)5-8-16(20)15(14)10-19/h5-10,20H,3-4,11H2,1-2H3.
What are the key properties of N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide?
N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide has a molecular weight of 301.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 146414088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).