tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate

C17H17NO2 — CID 154711282

IUPACtert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate
SMILESC#CN(C(=O)OC(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO2/c1-5-18(16(19)20-17(2,3)4)15-11-10-13-8-6-7-9-14(13)12-15/h1,6-12H,2-4H3
InChIKeyPSXFRFHPRGKEOC-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.17
Rot. Bonds1

About tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate

tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate (PubChem CID 154711282) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate
PubChem CID154711282
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate
SMILESC#CN(C(=O)OC(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO2/c1-5-18(16(19)20-17(2,3)4)15-11-10-13-8-6-7-9-14(13)12-15/h1,6-12H,2-4H3
InChIKeyPSXFRFHPRGKEOC-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 5-naphthalen-2-yl-4-oxopentanoate
CID 58498117
tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
CID 101149303
tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate
CID 142626450
tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate
CID 159361454
tert-butyl N-(3-methoxyphenyl)-N-(2-phenylethynyl)carbamate
CID 164683789
[4-[1,1-bis[4-[4-(dinaphthalen-2-ylamino)benzoyl]oxyphenyl]ethyl]phenyl] 4-(dinaphthalen-2-ylamino)benzoate
CID 139957827
tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate
CID 11858848
methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-naphthalen-2-ylbutanoate
CID 54267401
tert-butyl N-(4-isoquinolin-3-ylphenyl)-N-methylcarbamate
CID 67301164
tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate
CID 166000692
N-tert-butyl-N-methylnaphthalene-2-carboxamide
CID 90337297
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate?
The IUPAC name of tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate (CID 154711282) is tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate?
The canonical SMILES for tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate is C#CN(C(=O)OC(C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate?
The InChIKey is PSXFRFHPRGKEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-5-18(16(19)20-17(2,3)4)15-11-10-13-8-6-7-9-14(13)12-15/h1,6-12H,2-4H3.
What are the key properties of tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate?
tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate has a molecular weight of 267.33 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethynyl-N-naphthalen-2-ylcarbamate is sourced from PubChem (CID 154711282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).