2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide

C21H22N2O2 — CID 7997911

IUPAC2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-15-7-10-17(11-8-15)22-21(25)14-23(2)13-19-18-6-4-3-5-16(18)9-12-20(19)24/h3-12,24H,13-14H2,1-2H3,(H,22,25)
InChIKeyHUQXKVFFAAZKBC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.92
Rot. Bonds5

About 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide

2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 7997911) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID7997911
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-15-7-10-17(11-8-15)22-21(25)14-23(2)13-19-18-6-4-3-5-16(18)9-12-20(19)24/h3-12,24H,13-14H2,1-2H3,(H,22,25)
InChIKeyHUQXKVFFAAZKBC-UHFFFAOYSA-N
XLogP3.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide (CID 7997911) is 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is HUQXKVFFAAZKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-7-10-17(11-8-15)22-21(25)14-23(2)13-19-18-6-4-3-5-16(18)9-12-20(19)24/h3-12,24H,13-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 7997911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).