4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide

C16H19NO2 — CID 82372452

IUPAC4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)c1ccc2cc(C(=O)N(C)C)cc(O)c2c1
InChIInChI=1S/C16H19NO2/c1-10(2)11-5-6-12-7-13(16(19)17(3)4)9-15(18)14(12)8-11/h5-10,18H,1-4H3
InChIKeyDXLPFHJSUQBYQE-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.37
Rot. Bonds2

About 4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide

4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide (PubChem CID 82372452) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide
PubChem CID82372452
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)c1ccc2cc(C(=O)N(C)C)cc(O)c2c1
InChIInChI=1S/C16H19NO2/c1-10(2)11-5-6-12-7-13(16(19)17(3)4)9-15(18)14(12)8-11/h5-10,18H,1-4H3
InChIKeyDXLPFHJSUQBYQE-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide?
The IUPAC name of 4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide (CID 82372452) is 4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide?
The canonical SMILES for 4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide is CC(C)c1ccc2cc(C(=O)N(C)C)cc(O)c2c1.
What is the InChIKey of 4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide?
The InChIKey is DXLPFHJSUQBYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10(2)11-5-6-12-7-13(16(19)17(3)4)9-15(18)14(12)8-11/h5-10,18H,1-4H3.
What are the key properties of 4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide?
4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 82372452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).