N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C17H25NO2 — CID 106166704

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C17H25NO2/c1-3-17(2,10-11-19)18-16(20)15-9-8-13-6-4-5-7-14(13)12-15/h4-7,15,19H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyXHTVDFZMJQFFTI-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.46
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 106166704) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID106166704
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C17H25NO2/c1-3-17(2,10-11-19)18-16(20)15-9-8-13-6-4-5-7-14(13)12-15/h4-7,15,19H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyXHTVDFZMJQFFTI-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 106166704) is N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CCC(C)(CCO)NC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is XHTVDFZMJQFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-17(2,10-11-19)18-16(20)15-9-8-13-6-4-5-7-14(13)12-15/h4-7,15,19H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 106166704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).