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

C17H21NO2 — CID 71329089

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide
SMILESCC(C)(C)OCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-17(2,3)20-11-10-18-16(19)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12H,10-11H2,1-3H3,(H,18,19)
InChIKeyUNWXQTIHLGIWKB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.38
Rot. Bonds4

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

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide (PubChem CID 71329089) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide
PubChem CID71329089
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide
SMILESCC(C)(C)OCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-17(2,3)20-11-10-18-16(19)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12H,10-11H2,1-3H3,(H,18,19)
InChIKeyUNWXQTIHLGIWKB-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propylnaphthalene-2-carboxamide
CID 6624536
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 124761014
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide (CID 71329089) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide is CC(C)(C)OCCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide?
The InChIKey is UNWXQTIHLGIWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)20-11-10-18-16(19)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12H,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 71329089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).