N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide

C16H18N2O4 — CID 108528052

IUPACN-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide
SMILESCOC(CNC(=O)C(=O)Nc1cccc2ccccc12)OC
InChIInChI=1S/C16H18N2O4/c1-21-14(22-2)10-17-15(19)16(20)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGPJHSLJVMAIBRK-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.51
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide

N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide (PubChem CID 108528052) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide
PubChem CID108528052
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide
SMILESCOC(CNC(=O)C(=O)Nc1cccc2ccccc12)OC
InChIInChI=1S/C16H18N2O4/c1-21-14(22-2)10-17-15(19)16(20)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGPJHSLJVMAIBRK-UHFFFAOYSA-N
XLogP1.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethoxyethyl)-N'-(2-methylphenyl)oxamide
CID 7541682
N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide
CID 111491083
N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide
CID 60653057
N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530058
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
CID 3102414
N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
CID 108522195
3-(naphthalen-1-ylcarbamoyl)but-3-enoic acid
CID 139970966
3-(2,2-dimethoxyethylamino)-2-(naphthalen-1-ylmethyl)-3-oxopropanoic acid
CID 23049677
N-(2,2-dimethoxyethyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 146080919
N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 7541654
N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108516166

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide (CID 108528052) is N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide is COC(CNC(=O)C(=O)Nc1cccc2ccccc12)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide?
The InChIKey is GPJHSLJVMAIBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-21-14(22-2)10-17-15(19)16(20)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide?
N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide has a molecular weight of 302.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide is sourced from PubChem (CID 108528052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).