N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide

C17H19NO3 — CID 103954237

IUPACN-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c19-12-17(7-9-21-10-8-17)18-16(20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,19H,7-10,12H2,(H,18,20)
InChIKeyGVYIEPNBRHGZKM-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.11
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide (PubChem CID 103954237) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
PubChem CID103954237
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c19-12-17(7-9-21-10-8-17)18-16(20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,19H,7-10,12H2,(H,18,20)
InChIKeyGVYIEPNBRHGZKM-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103954059
2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid
CID 119214636
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
CID 106297402
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298903
N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide
CID 104630575
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
N-[4-(bromomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106304718

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide (CID 103954237) is N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide is O=C(NC1(CO)CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide?
The InChIKey is GVYIEPNBRHGZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-12-17(7-9-21-10-8-17)18-16(20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,19H,7-10,12H2,(H,18,20).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 2.11, 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]naphthalene-2-carboxamide is sourced from PubChem (CID 103954237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).