N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide

C17H21NO2 — CID 19602319

IUPACN-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide
SMILESCCNC(=O)c1c(OC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-5-18-16(19)15-13-9-7-6-8-12(13)10-11-14(15)20-17(2,3)4/h6-11H,5H2,1-4H3,(H,18,19)
InChIKeyKUKOLUDBYODOGQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.77
Rot. Bonds3

About N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide

N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide (PubChem CID 19602319) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide
PubChem CID19602319
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide
SMILESCCNC(=O)c1c(OC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-5-18-16(19)15-13-9-7-6-8-12(13)10-11-14(15)20-17(2,3)4/h6-11H,5H2,1-4H3,(H,18,19)
InChIKeyKUKOLUDBYODOGQ-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide?
The IUPAC name of N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide (CID 19602319) is N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide?
The canonical SMILES for N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide is CCNC(=O)c1c(OC(C)(C)C)ccc2ccccc12.
What is the InChIKey of N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide?
The InChIKey is KUKOLUDBYODOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-5-18-16(19)15-13-9-7-6-8-12(13)10-11-14(15)20-17(2,3)4/h6-11H,5H2,1-4H3,(H,18,19).
What are the key properties of N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide?
N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylpropan-2-yl)oxy]naphthalene-1-carboxamide is sourced from PubChem (CID 19602319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).