N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide

C22H23NO3 — CID 60518694

IUPACN-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide
SMILESCN(Cc1ccccc1O)C(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C22H23NO3/c1-23(16-18-9-3-5-12-20(18)24)22(25)14-7-15-26-21-13-6-10-17-8-2-4-11-19(17)21/h2-6,8-13,24H,7,14-16H2,1H3
InChIKeyPLUOLYBZVKRYOZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.36
Rot. Bonds7

About N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide

N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide (PubChem CID 60518694) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide
PubChem CID60518694
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide
SMILESCN(Cc1ccccc1O)C(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C22H23NO3/c1-23(16-18-9-3-5-12-20(18)24)22(25)14-7-15-26-21-13-6-10-17-8-2-4-11-19(17)21/h2-6,8-13,24H,7,14-16H2,1H3
InChIKeyPLUOLYBZVKRYOZ-UHFFFAOYSA-N
XLogP4.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55713133
N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 134018541
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-naphthalen-1-yloxybutanamide
CID 55718491
4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 55939528
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
N-[(2-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46234490
N',N'-dimethyl-3-naphthalen-1-yloxypropanehydrazide
CID 116820813
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide
CID 47023769
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide (CID 60518694) is N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide is CN(Cc1ccccc1O)C(=O)CCCOc1cccc2ccccc12.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide?
The InChIKey is PLUOLYBZVKRYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-23(16-18-9-3-5-12-20(18)24)22(25)14-7-15-26-21-13-6-10-17-8-2-4-11-19(17)21/h2-6,8-13,24H,7,14-16H2,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide?
N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide has a molecular weight of 349.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 60518694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).