N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C19H21NO2 — CID 58055219

IUPACN-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)C1CCc2ccc(CCc3ccccc3)cc2C1
InChIInChI=1S/C19H21NO2/c21-19(20-22)17-11-10-16-9-8-15(12-18(16)13-17)7-6-14-4-2-1-3-5-14/h1-5,8-9,12,17,22H,6-7,10-11,13H2,(H,20,21)
InChIKeyLXMUDXLMTWZMJS-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.08
Rot. Bonds4

About N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 58055219) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID58055219
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)C1CCc2ccc(CCc3ccccc3)cc2C1
InChIInChI=1S/C19H21NO2/c21-19(20-22)17-11-10-16-9-8-15(12-18(16)13-17)7-6-14-4-2-1-3-5-14/h1-5,8-9,12,17,22H,6-7,10-11,13H2,(H,20,21)
InChIKeyLXMUDXLMTWZMJS-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 56601360
N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055301
N-hydroxy-7-(1H-indol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055322
(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid
CID 14557388
7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide
CID 88582541
methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate
CID 123209447
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055291
methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
CID 51355167
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropanecarboxamide
CID 110787330
benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate
CID 134590853
methyl (2S)-3-phenyl-2-[[(2S)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]propanoate
CID 143932319

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 58055219) is N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NO)C1CCc2ccc(CCc3ccccc3)cc2C1.
What is the InChIKey of N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is LXMUDXLMTWZMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(20-22)17-11-10-16-9-8-15(12-18(16)13-17)7-6-14-4-2-1-3-5-14/h1-5,8-9,12,17,22H,6-7,10-11,13H2,(H,20,21).
What are the key properties of N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 58055219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).