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

C24H27N3O3 — CID 2423351

IUPAC2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C24H27N3O3/c1-26(16-22-21-5-3-2-4-18(21)6-11-23(22)28)17-24(29)25-19-7-9-20(10-8-19)27-12-14-30-15-13-27/h2-11,28H,12-17H2,1H3,(H,25,29)
InChIKeyDXKUZRNURNZDIK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.45
Rot. Bonds6

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

2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2423351) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2423351
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C24H27N3O3/c1-26(16-22-21-5-3-2-4-18(21)6-11-23(22)28)17-24(29)25-19-7-9-20(10-8-19)27-12-14-30-15-13-27/h2-11,28H,12-17H2,1H3,(H,25,29)
InChIKeyDXKUZRNURNZDIK-UHFFFAOYSA-N
XLogP3.45
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 2423351) is 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c(O)ccc2ccccc12.
What is the InChIKey of 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is DXKUZRNURNZDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-26(16-22-21-5-3-2-4-18(21)6-11-23(22)28)17-24(29)25-19-7-9-20(10-8-19)27-12-14-30-15-13-27/h2-11,28H,12-17H2,1H3,(H,25,29).
What are the key properties of 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2423351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).