2-naphthalen-2-yl-N-pent-4-ynylacetamide

C17H17NO — CID 103709060

IUPAC2-naphthalen-2-yl-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H17NO/c1-2-3-6-11-18-17(19)13-14-9-10-15-7-4-5-8-16(15)12-14/h1,4-5,7-10,12H,3,6,11,13H2,(H,18,19)
InChIKeyZJYVLYHPJCNJGE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.91
Rot. Bonds5

About 2-naphthalen-2-yl-N-pent-4-ynylacetamide

2-naphthalen-2-yl-N-pent-4-ynylacetamide (PubChem CID 103709060) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-pent-4-ynylacetamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-pent-4-ynylacetamide
PubChem CID103709060
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-naphthalen-2-yl-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H17NO/c1-2-3-6-11-18-17(19)13-14-9-10-15-7-4-5-8-16(15)12-14/h1,4-5,7-10,12H,3,6,11,13H2,(H,18,19)
InChIKeyZJYVLYHPJCNJGE-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
CID 103709115
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
N-(4-aminopentyl)-2-naphthalen-2-ylacetamide
CID 106122522
N-(3-azidopropyl)-2-naphthalen-2-ylacetamide
CID 61343834
2-naphthalen-2-yl-N-(3-phenylmethoxypropyl)acetamide
CID 41365702
2-(3-bromophenyl)-N-hex-5-ynylacetamide
CID 103757951
N-[2-(ethylamino)ethyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119504641
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide
CID 103767492
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165
2-(4-aminophenyl)-N-hex-5-ynylacetamide
CID 106208123

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-pent-4-ynylacetamide?
The IUPAC name of 2-naphthalen-2-yl-N-pent-4-ynylacetamide (CID 103709060) is 2-naphthalen-2-yl-N-pent-4-ynylacetamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-pent-4-ynylacetamide?
The canonical SMILES for 2-naphthalen-2-yl-N-pent-4-ynylacetamide is C#CCCCNC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-N-pent-4-ynylacetamide?
The InChIKey is ZJYVLYHPJCNJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-3-6-11-18-17(19)13-14-9-10-15-7-4-5-8-16(15)12-14/h1,4-5,7-10,12H,3,6,11,13H2,(H,18,19).
What are the key properties of 2-naphthalen-2-yl-N-pent-4-ynylacetamide?
2-naphthalen-2-yl-N-pent-4-ynylacetamide has a molecular weight of 251.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-pent-4-ynylacetamide is sourced from PubChem (CID 103709060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).