2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide

C18H23NO3 — CID 10685706

IUPAC2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide
SMILESCCOC(OCC)c1ccc2ccccc2c1C(=O)N(C)C
InChIInChI=1S/C18H23NO3/c1-5-21-18(22-6-2)15-12-11-13-9-7-8-10-14(13)16(15)17(20)19(3)4/h7-12,18H,5-6H2,1-4H3
InChIKeyOJVFTQNBIHHABO-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.61
Rot. Bonds6

About 2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide

2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide (PubChem CID 10685706) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide
PubChem CID10685706
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide
SMILESCCOC(OCC)c1ccc2ccccc2c1C(=O)N(C)C
InChIInChI=1S/C18H23NO3/c1-5-21-18(22-6-2)15-12-11-13-9-7-8-10-14(13)16(15)17(20)19(3)4/h7-12,18H,5-6H2,1-4H3
InChIKeyOJVFTQNBIHHABO-UHFFFAOYSA-N
XLogP3.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235
2-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279236
2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 102067521
N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide
CID 101183302
3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 63365385
N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide
CID 10790677
N,N-dimethyl-2-thiophen-3-ylnaphthalene-1-carboxamide
CID 71059237
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
CID 63368477
2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 102067522
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 78930722
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90550070

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide?
The IUPAC name of 2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide (CID 10685706) is 2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide.
What is the SMILES notation for 2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide?
The canonical SMILES for 2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide is CCOC(OCC)c1ccc2ccccc2c1C(=O)N(C)C.
What is the InChIKey of 2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide?
The InChIKey is OJVFTQNBIHHABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-5-21-18(22-6-2)15-12-11-13-9-7-8-10-14(13)16(15)17(20)19(3)4/h7-12,18H,5-6H2,1-4H3.
What are the key properties of 2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide?
2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide is sourced from PubChem (CID 10685706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).