N-(naphthalen-2-ylmethyl)-2-oxoacetamide

C13H11NO2 — CID 54357597

IUPACN-(naphthalen-2-ylmethyl)-2-oxoacetamide
SMILESO=CC(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C13H11NO2/c15-9-13(16)14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H,14,16)
InChIKeyUKFAQFCDLKQNBH-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.65
Rot. Bonds3

About N-(naphthalen-2-ylmethyl)-2-oxoacetamide

N-(naphthalen-2-ylmethyl)-2-oxoacetamide (PubChem CID 54357597) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-2-oxoacetamide
PubChem CID54357597
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC NameN-(naphthalen-2-ylmethyl)-2-oxoacetamide
SMILESO=CC(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C13H11NO2/c15-9-13(16)14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H,14,16)
InChIKeyUKFAQFCDLKQNBH-UHFFFAOYSA-N
XLogP1.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide
CID 175919699
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
2-oxo-N-[(4-phenoxyphenyl)methyl]acetamide
CID 115166211
3-hydroxy-N-(naphthalen-2-ylmethyl)propanamide
CID 115139108
N-[(3-aminophenyl)methyl]-2-oxoacetamide
CID 89088482
N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
CID 68703244
N-(hydrazinylmethyl)-1-naphthalen-2-ylmethanamine
CID 115260879
N'-(naphthalen-2-ylmethyl)methanediamine
CID 115225812
(naphthalen-2-ylmethylamino)methanethiol
CID 115228012
1-[(2S)-4-methylsulfonylbutan-2-yl]-3-(naphthalen-2-ylmethyl)urea
CID 97227616
1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea
CID 111337415
N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide
CID 115615842

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-2-oxoacetamide?
The IUPAC name of N-(naphthalen-2-ylmethyl)-2-oxoacetamide (CID 54357597) is N-(naphthalen-2-ylmethyl)-2-oxoacetamide.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-2-oxoacetamide?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-2-oxoacetamide is O=CC(=O)NCc1ccc2ccccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-2-oxoacetamide?
The InChIKey is UKFAQFCDLKQNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-9-13(16)14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H,14,16).
What are the key properties of N-(naphthalen-2-ylmethyl)-2-oxoacetamide?
N-(naphthalen-2-ylmethyl)-2-oxoacetamide has a molecular weight of 213.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-2-oxoacetamide is sourced from PubChem (CID 54357597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).