N-(3-azidopropyl)-2-naphthalen-2-ylacetamide

C15H16N4O — CID 61343834

IUPACN-(3-azidopropyl)-2-naphthalen-2-ylacetamide
SMILES[N-]=[N+]=NCCCNC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H16N4O/c16-19-18-9-3-8-17-15(20)11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10H,3,8-9,11H2,(H,17,20)
InChIKeyZEMLIKKYCLDDRC-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.20
Rot. Bonds6

About N-(3-azidopropyl)-2-naphthalen-2-ylacetamide

N-(3-azidopropyl)-2-naphthalen-2-ylacetamide (PubChem CID 61343834) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-azidopropyl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2-naphthalen-2-ylacetamide
PubChem CID61343834
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(3-azidopropyl)-2-naphthalen-2-ylacetamide
SMILES[N-]=[N+]=NCCCNC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H16N4O/c16-19-18-9-3-8-17-15(20)11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10H,3,8-9,11H2,(H,17,20)
InChIKeyZEMLIKKYCLDDRC-UHFFFAOYSA-N
XLogP3.20
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.20
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

N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
2-naphthalen-2-yl-N-pent-4-ynylacetamide
CID 103709060
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
N-(3-azidopropyl)-3-phenylpropanamide
CID 61344003
N-(4-aminopentyl)-2-naphthalen-2-ylacetamide
CID 106122522
N-(3-azidopropyl)-2-pyridin-2-ylacetamide
CID 55139148
N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide
CID 61344378
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025
2-naphthalen-2-yl-N-(3-phenylmethoxypropyl)acetamide
CID 41365702
N-(3-azidopropyl)-2-thiophen-2-ylacetamide
CID 55138752
N-(3-azidopropyl)-1-benzothiophene-2-carboxamide
CID 61406843
N-[2-(ethylamino)ethyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119504641

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(3-azidopropyl)-2-naphthalen-2-ylacetamide (CID 61343834) is N-(3-azidopropyl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(3-azidopropyl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(3-azidopropyl)-2-naphthalen-2-ylacetamide is [N-]=[N+]=NCCCNC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(3-azidopropyl)-2-naphthalen-2-ylacetamide?
The InChIKey is ZEMLIKKYCLDDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-19-18-9-3-8-17-15(20)11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10H,3,8-9,11H2,(H,17,20).
What are the key properties of N-(3-azidopropyl)-2-naphthalen-2-ylacetamide?
N-(3-azidopropyl)-2-naphthalen-2-ylacetamide has a molecular weight of 268.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 61343834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).