2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide

C21H29NO2 — CID 9497344

IUPAC2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
SMILESCCCC[C@@H](CC)CNC(=O)c1c(OCC)ccc2ccccc12
InChIInChI=1S/C21H29NO2/c1-4-7-10-16(5-2)15-22-21(23)20-18-12-9-8-11-17(18)13-14-19(20)24-6-3/h8-9,11-14,16H,4-7,10,15H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyHQJMLXDHLMNMTE-MRXNPFEDSA-N
MW327.47 g/mol
LogP5.18
Rot. Bonds9

About 2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide

2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide (PubChem CID 9497344) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
PubChem CID9497344
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
SMILESCCCC[C@@H](CC)CNC(=O)c1c(OCC)ccc2ccccc12
InChIInChI=1S/C21H29NO2/c1-4-7-10-16(5-2)15-22-21(23)20-18-12-9-8-11-17(18)13-14-19(20)24-6-3/h8-9,11-14,16H,4-7,10,15H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyHQJMLXDHLMNMTE-MRXNPFEDSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide
CID 134016715
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582
3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide
CID 100546421
N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
CID 7314092
N-[(2S)-2-ethylhexyl]-1-oxoisochromene-3-carboxamide
CID 7045420
2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 97414456
N-(2-ethylhexyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 78802179
2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide
CID 90524106
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
N-(2-ethylhexyl)-2-naphthalen-2-yloxyacetamide
CID 5172128

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide (CID 9497344) is 2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide is CCCC[C@@H](CC)CNC(=O)c1c(OCC)ccc2ccccc12.
What is the InChIKey of 2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide?
The InChIKey is HQJMLXDHLMNMTE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29NO2/c1-4-7-10-16(5-2)15-22-21(23)20-18-12-9-8-11-17(18)13-14-19(20)24-6-3/h8-9,11-14,16H,4-7,10,15H2,1-3H3,(H,22,23)/t16-/m1/s1.
What are the key properties of 2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide?
2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide is sourced from PubChem (CID 9497344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).