N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide

C18H28N2O — CID 89258389

IUPACN-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCc1ccccc1CN(C=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-14-8-6-7-9-15(14)12-20(13-21)16-10-17(2,3)19-18(4,5)11-16/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyUPMQCCWGZVWPPQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.26
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide

N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide (PubChem CID 89258389) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
PubChem CID89258389
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCc1ccccc1CN(C=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-14-8-6-7-9-15(14)12-20(13-21)16-10-17(2,3)19-18(4,5)11-16/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyUPMQCCWGZVWPPQ-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide (CID 89258389) is N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide is Cc1ccccc1CN(C=O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The InChIKey is UPMQCCWGZVWPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-8-6-7-9-15(14)12-20(13-21)16-10-17(2,3)19-18(4,5)11-16/h6-9,13,16,19H,10-12H2,1-5H3.
What are the key properties of N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide has a molecular weight of 288.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide is sourced from PubChem (CID 89258389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).