N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C18H19NO2 — CID 107126936

IUPACN-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCc1ccccc1O)C1CCc2ccccc2C1
InChIInChI=1S/C18H19NO2/c20-17-8-4-3-7-16(17)12-19-18(21)15-10-9-13-5-1-2-6-14(13)11-15/h1-8,15,20H,9-12H2,(H,19,21)
InChIKeyCHWFTQYDDHENPJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.81
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107126936) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107126936
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCc1ccccc1O)C1CCc2ccccc2C1
InChIInChI=1S/C18H19NO2/c20-17-8-4-3-7-16(17)12-19-18(21)15-10-9-13-5-1-2-6-14(13)11-15/h1-8,15,20H,9-12H2,(H,19,21)
InChIKeyCHWFTQYDDHENPJ-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106703935
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 90649040
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91782128
N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 45194172
methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
CID 51355167
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107848051
N-(3-amino-2,2-difluoropropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127316
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127121
3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103551256

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107126936) is N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCc1ccccc1O)C1CCc2ccccc2C1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is CHWFTQYDDHENPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-17-8-4-3-7-16(17)12-19-18(21)15-10-9-13-5-1-2-6-14(13)11-15/h1-8,15,20H,9-12H2,(H,19,21).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107126936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).