N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide

C18H21NO3 — CID 146140193

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide
SMILESCc1ccc2c(C(=O)N[C@@H]3CCOC[C@H]3O)c(C)ccc2c1
InChIInChI=1S/C18H21NO3/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)18(21)19-15-7-8-22-10-16(15)20/h3-6,9,15-16,20H,7-8,10H2,1-2H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyRJTKUYJZIIHNHK-HZPDHXFCSA-N
MW299.37 g/mol
LogP2.34
Rot. Bonds2

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide (PubChem CID 146140193) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide
PubChem CID146140193
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide
SMILESCc1ccc2c(C(=O)N[C@@H]3CCOC[C@H]3O)c(C)ccc2c1
InChIInChI=1S/C18H21NO3/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)18(21)19-15-7-8-22-10-16(15)20/h3-6,9,15-16,20H,7-8,10H2,1-2H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyRJTKUYJZIIHNHK-HZPDHXFCSA-N
XLogP2.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide (CID 146140193) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide is Cc1ccc2c(C(=O)N[C@@H]3CCOC[C@H]3O)c(C)ccc2c1.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide?
The InChIKey is RJTKUYJZIIHNHK-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21NO3/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)18(21)19-15-7-8-22-10-16(15)20/h3-6,9,15-16,20H,7-8,10H2,1-2H3,(H,19,21)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide is sourced from PubChem (CID 146140193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).