4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide

C21H19NO3 — CID 134036287

IUPAC4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(COc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C21H19NO3/c1-22(2)21(24)17-9-7-15(8-10-17)14-25-20-12-11-16-5-3-4-6-18(16)19(20)13-23/h3-13H,14H2,1-2H3
InChIKeyTULZIWZIVBLAFP-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.93
Rot. Bonds5

About 4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide

4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide (PubChem CID 134036287) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide
PubChem CID134036287
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(COc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C21H19NO3/c1-22(2)21(24)17-9-7-15(8-10-17)14-25-20-12-11-16-5-3-4-6-18(16)19(20)13-23/h3-13H,14H2,1-2H3
InChIKeyTULZIWZIVBLAFP-UHFFFAOYSA-N
XLogP3.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde
CID 882524
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
(1-formylnaphthalen-2-yl) 4-methoxybenzoate
CID 4778907
2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417346
(1-formylnaphthalen-2-yl) acetate
CID 2063426
N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763455
N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763182
2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 9009870
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763235
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344

Frequently Asked Questions

What is the IUPAC name of 4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide (CID 134036287) is 4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(COc2ccc3ccccc3c2C=O)cc1.
What is the InChIKey of 4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide?
The InChIKey is TULZIWZIVBLAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-22(2)21(24)17-9-7-15(8-10-17)14-25-20-12-11-16-5-3-4-6-18(16)19(20)13-23/h3-13H,14H2,1-2H3.
What are the key properties of 4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide?
4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 134036287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).