N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H23NO3 — CID 103954059

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23NO3/c19-12-17(7-9-21-10-8-17)18-16(20)15-6-5-13-3-1-2-4-14(13)11-15/h5-6,11,19H,1-4,7-10,12H2,(H,18,20)
InChIKeyWJKNYBYTWHBPPZ-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.84
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 103954059) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID103954059
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23NO3/c19-12-17(7-9-21-10-8-17)18-16(20)15-6-5-13-3-1-2-4-14(13)11-15/h5-6,11,19H,1-4,7-10,12H2,(H,18,20)
InChIKeyWJKNYBYTWHBPPZ-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 106297138
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113344817
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298903
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide
CID 104630575
N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
CID 106297402
N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 103954215
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 103954059) is N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NC1(CO)CCOCC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is WJKNYBYTWHBPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-12-17(7-9-21-10-8-17)18-16(20)15-6-5-13-3-1-2-4-14(13)11-15/h5-6,11,19H,1-4,7-10,12H2,(H,18,20).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 103954059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).