N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide

C16H19NO3 — CID 60653057

IUPACN-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide
SMILESCOC(CNC(=O)Cc1cccc2ccccc12)OC
InChIInChI=1S/C16H19NO3/c1-19-16(20-2)11-17-15(18)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,16H,10-11H2,1-2H3,(H,17,18)
InChIKeyRPHKMSYUPRQSBX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.12
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide

N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide (PubChem CID 60653057) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide
PubChem CID60653057
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide
SMILESCOC(CNC(=O)Cc1cccc2ccccc12)OC
InChIInChI=1S/C16H19NO3/c1-19-16(20-2)11-17-15(18)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,16H,10-11H2,1-2H3,(H,17,18)
InChIKeyRPHKMSYUPRQSBX-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 106108050
3-(2,2-dimethoxyethylamino)-2-(naphthalen-1-ylmethyl)-3-oxopropanoic acid
CID 23049677
N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide
CID 114298908
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133
3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 81063161
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 120831392
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46423856
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate
CID 9277768
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide
CID 108528052

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide (CID 60653057) is N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide is COC(CNC(=O)Cc1cccc2ccccc12)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide?
The InChIKey is RPHKMSYUPRQSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-16(20-2)11-17-15(18)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,16H,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide?
N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide has a molecular weight of 273.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 60653057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).