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

C22H24N2O2 — CID 2496326

IUPACN-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C22H24N2O2/c1-3-16-8-5-7-11-20(16)23-22(26)15-24(2)14-19-18-10-6-4-9-17(18)12-13-21(19)25/h4-13,25H,3,14-15H2,1-2H3,(H,23,26)
InChIKeyLQHOWWMOXSVREO-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.18
Rot. Bonds6

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

N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide (PubChem CID 2496326) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide
PubChem CID2496326
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C22H24N2O2/c1-3-16-8-5-7-11-20(16)23-22(26)15-24(2)14-19-18-10-6-4-9-17(18)12-13-21(19)25/h4-13,25H,3,14-15H2,1-2H3,(H,23,26)
InChIKeyLQHOWWMOXSVREO-UHFFFAOYSA-N
XLogP4.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.18
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 N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide (CID 2496326) is N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide is CCc1ccccc1NC(=O)CN(C)Cc1c(O)ccc2ccccc12.
What is the InChIKey of N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide?
The InChIKey is LQHOWWMOXSVREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-16-8-5-7-11-20(16)23-22(26)15-24(2)14-19-18-10-6-4-9-17(18)12-13-21(19)25/h4-13,25H,3,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide?
N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide has a molecular weight of 348.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 2496326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).