N-(2-azidoethyl)-2-naphthalen-1-ylacetamide

C14H14N4O — CID 61342306

IUPACN-(2-azidoethyl)-2-naphthalen-1-ylacetamide
SMILES[N-]=[N+]=NCCNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H14N4O/c15-18-17-9-8-16-14(19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,16,19)
InChIKeyOOUGPCPLLMRDGF-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.81
Rot. Bonds5

About N-(2-azidoethyl)-2-naphthalen-1-ylacetamide

N-(2-azidoethyl)-2-naphthalen-1-ylacetamide (PubChem CID 61342306) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-naphthalen-1-ylacetamide
PubChem CID61342306
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(2-azidoethyl)-2-naphthalen-1-ylacetamide
SMILES[N-]=[N+]=NCCNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H14N4O/c15-18-17-9-8-16-14(19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,16,19)
InChIKeyOOUGPCPLLMRDGF-UHFFFAOYSA-N
XLogP2.81
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[(2-naphthalen-1-ylacetyl)amino]ethylazanium
CID 3827956
N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide
CID 61342315
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
N-(3,3-diphenylpropyl)-2-naphthalen-1-ylacetamide
CID 7935580
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
N-(5-chloropentyl)-2-naphthalen-1-ylacetamide
CID 107321302
N-(3-azidopropyl)-2-naphthalen-2-ylacetamide
CID 61343834
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(2-azidoethyl)-2-naphthalen-1-ylacetamide (CID 61342306) is N-(2-azidoethyl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(2-azidoethyl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(2-azidoethyl)-2-naphthalen-1-ylacetamide is [N-]=[N+]=NCCNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-(2-azidoethyl)-2-naphthalen-1-ylacetamide?
The InChIKey is OOUGPCPLLMRDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-18-17-9-8-16-14(19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,16,19).
What are the key properties of N-(2-azidoethyl)-2-naphthalen-1-ylacetamide?
N-(2-azidoethyl)-2-naphthalen-1-ylacetamide has a molecular weight of 254.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 61342306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).