N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide

C14H13NO2 — CID 3371276

IUPACN,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO2/c1-15(2)14(17)13(16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKeyRJUIHHITSSGWNY-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.11
Rot. Bonds2

About N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide

N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide (PubChem CID 3371276) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide
PubChem CID3371276
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC NameN,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO2/c1-15(2)14(17)13(16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKeyRJUIHHITSSGWNY-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide?
The IUPAC name of N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide (CID 3371276) is N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide.
What is the SMILES notation for N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide?
The canonical SMILES for N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide is CN(C)C(=O)C(=O)c1cccc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide?
The InChIKey is RJUIHHITSSGWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-15(2)14(17)13(16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide?
N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide has a molecular weight of 227.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-naphthalen-1-yl-2-oxoacetamide is sourced from PubChem (CID 3371276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).