2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide

C15H17N5O — CID 66191641

IUPAC2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide
SMILESCC(NCCN=[N+]=[N-])(C(N)=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17N5O/c1-15(14(16)21,18-8-9-19-20-17)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,18H,8-9H2,1H3,(H2,16,21)
InChIKeyNBJNVZHWUOOKBU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.44
Rot. Bonds6

About 2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide

2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide (PubChem CID 66191641) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide
PubChem CID66191641
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide
SMILESCC(NCCN=[N+]=[N-])(C(N)=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17N5O/c1-15(14(16)21,18-8-9-19-20-17)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,18H,8-9H2,1H3,(H2,16,21)
InChIKeyNBJNVZHWUOOKBU-UHFFFAOYSA-N
XLogP2.44
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-azidopropylamino)-2-(4-iodophenyl)propanamide
CID 114083108
2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 66165562
ethyl 2-(2-azidoethylamino)-2-(3,4-dimethylphenyl)propanoate
CID 66189056
2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide
CID 66167212
2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide
CID 82967722
2-(2-azidoethylamino)-2-phenylbutanamide
CID 66191038
2-(2-azidoethylamino)-2-(2-bromophenyl)propanoic acid
CID 66189213
2-(4-phenylphenyl)-2-(propylamino)propanamide
CID 60795385
2-fluoro-2-naphthalen-2-ylpropanamide
CID 91088349
ethyl 2-(2-azidoethylamino)-2-(4-methylsulfanylphenyl)propanoate
CID 66191230
2-(2-azidoethylamino)-2-(2,4-difluorophenyl)propanoic acid
CID 66190200
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide?
The IUPAC name of 2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide (CID 66191641) is 2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide is CC(NCCN=[N+]=[N-])(C(N)=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide?
The InChIKey is NBJNVZHWUOOKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-15(14(16)21,18-8-9-19-20-17)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,18H,8-9H2,1H3,(H2,16,21).
What are the key properties of 2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide?
2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide is sourced from PubChem (CID 66191641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).