N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide

C21H21NO3 — CID 9022506

IUPACN-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
SMILESCCOc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO3/c1-2-24-19-9-11-20(12-10-19)25-14-13-22-21(23)18-8-7-16-5-3-4-6-17(16)15-18/h3-12,15H,2,13-14H2,1H3,(H,22,23)
InChIKeyUQAAHSBQZJUXRN-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.05
Rot. Bonds7

About N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide

N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide (PubChem CID 9022506) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
PubChem CID9022506
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
SMILESCCOc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO3/c1-2-24-19-9-11-20(12-10-19)25-14-13-22-21(23)18-8-7-16-5-3-4-6-17(16)15-18/h3-12,15H,2,13-14H2,1H3,(H,22,23)
InChIKeyUQAAHSBQZJUXRN-UHFFFAOYSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide
CID 71329089
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24546581
3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide
CID 26976673
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887685

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide (CID 9022506) is N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide is CCOc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide?
The InChIKey is UQAAHSBQZJUXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-2-24-19-9-11-20(12-10-19)25-14-13-22-21(23)18-8-7-16-5-3-4-6-17(16)15-18/h3-12,15H,2,13-14H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide?
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 9022506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).