N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide

C23H26N2O2 — CID 46469275

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
SMILESCN(C)c1ccc(CNC(=O)CCCOc2cccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O2/c1-25(2)20-14-12-18(13-15-20)17-24-23(26)11-6-16-27-22-10-5-8-19-7-3-4-9-21(19)22/h3-5,7-10,12-15H,6,11,16-17H2,1-2H3,(H,24,26)
InChIKeyQLAIOAUELBZILQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.38
Rot. Bonds8

About N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide

N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide (PubChem CID 46469275) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
PubChem CID46469275
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
SMILESCN(C)c1ccc(CNC(=O)CCCOc2cccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O2/c1-25(2)20-14-12-18(13-15-20)17-24-23(26)11-6-16-27-22-10-5-8-19-7-3-4-9-21(19)22/h3-5,7-10,12-15H,6,11,16-17H2,1-2H3,(H,24,26)
InChIKeyQLAIOAUELBZILQ-UHFFFAOYSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 60514201
4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 9304132
N',N'-dimethyl-3-naphthalen-1-yloxypropanehydrazide
CID 116820813
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
N-[(2-ethoxy-4-pyridinyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55707854
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
CID 61248604
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide (CID 46469275) is N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide is CN(C)c1ccc(CNC(=O)CCCOc2cccc3ccccc23)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide?
The InChIKey is QLAIOAUELBZILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-25(2)20-14-12-18(13-15-20)17-24-23(26)11-6-16-27-22-10-5-8-19-7-3-4-9-21(19)22/h3-5,7-10,12-15H,6,11,16-17H2,1-2H3,(H,24,26).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide has a molecular weight of 362.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 46469275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).