pent-3-ynyl N-naphthalen-2-ylcarbamate

C16H15NO2 — CID 620039

IUPACpent-3-ynyl N-naphthalen-2-ylcarbamate
SMILESCC#CCCOC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H15NO2/c1-2-3-6-11-19-16(18)17-15-10-9-13-7-4-5-8-14(13)12-15/h4-5,7-10,12H,6,11H2,1H3,(H,17,18)
InChIKeyNNZXRSNRKANWKI-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.80
Rot. Bonds3

About pent-3-ynyl N-naphthalen-2-ylcarbamate

pent-3-ynyl N-naphthalen-2-ylcarbamate (PubChem CID 620039) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is pent-3-ynyl N-naphthalen-2-ylcarbamate.

Molecular Properties

Compound Namepent-3-ynyl N-naphthalen-2-ylcarbamate
PubChem CID620039
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namepent-3-ynyl N-naphthalen-2-ylcarbamate
SMILESCC#CCCOC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H15NO2/c1-2-3-6-11-19-16(18)17-15-10-9-13-7-4-5-8-14(13)12-15/h4-5,7-10,12H,6,11H2,1H3,(H,17,18)
InChIKeyNNZXRSNRKANWKI-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
ethyl N-(6-hydroxynaphthalen-2-yl)carbamate
CID 68802648
1-methyl-3-naphthalen-2-ylurea
CID 3454681
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
CID 108894459
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
4-(2-methoxyethoxy)-N-naphthalen-2-ylbenzamide
CID 17232007
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945

Frequently Asked Questions

What is the IUPAC name of pent-3-ynyl N-naphthalen-2-ylcarbamate?
The IUPAC name of pent-3-ynyl N-naphthalen-2-ylcarbamate (CID 620039) is pent-3-ynyl N-naphthalen-2-ylcarbamate.
What is the SMILES notation for pent-3-ynyl N-naphthalen-2-ylcarbamate?
The canonical SMILES for pent-3-ynyl N-naphthalen-2-ylcarbamate is CC#CCCOC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of pent-3-ynyl N-naphthalen-2-ylcarbamate?
The InChIKey is NNZXRSNRKANWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-3-6-11-19-16(18)17-15-10-9-13-7-4-5-8-14(13)12-15/h4-5,7-10,12H,6,11H2,1H3,(H,17,18).
What are the key properties of pent-3-ynyl N-naphthalen-2-ylcarbamate?
pent-3-ynyl N-naphthalen-2-ylcarbamate has a molecular weight of 253.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-ynyl N-naphthalen-2-ylcarbamate is sourced from PubChem (CID 620039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).