prop-2-ynyl N-(2-ethylphenyl)carbamate

C12H13NO2 — CID 91733300

IUPACprop-2-ynyl N-(2-ethylphenyl)carbamate
SMILESC#CCOC(=O)Nc1ccccc1CC
InChIInChI=1S/C12H13NO2/c1-3-9-15-12(14)13-11-8-6-5-7-10(11)4-2/h1,5-8H,4,9H2,2H3,(H,13,14)
InChIKeyARBPZMOTHNDRPS-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.43
Rot. Bonds3

About prop-2-ynyl N-(2-ethylphenyl)carbamate

prop-2-ynyl N-(2-ethylphenyl)carbamate (PubChem CID 91733300) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is prop-2-ynyl N-(2-ethylphenyl)carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-(2-ethylphenyl)carbamate
PubChem CID91733300
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameprop-2-ynyl N-(2-ethylphenyl)carbamate
SMILESC#CCOC(=O)Nc1ccccc1CC
InChIInChI=1S/C12H13NO2/c1-3-9-15-12(14)13-11-8-6-5-7-10(11)4-2/h1,5-8H,4,9H2,2H3,(H,13,14)
InChIKeyARBPZMOTHNDRPS-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-prop-2-ynylphenyl)acetamide
CID 57178754
ethyl N-[2-(diethylaminomethyl)phenyl]carbamate
CID 61215408
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
CID 8789459
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
N'-(2-ethylphenyl)but-2-enediamide
CID 131854117

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-(2-ethylphenyl)carbamate?
The IUPAC name of prop-2-ynyl N-(2-ethylphenyl)carbamate (CID 91733300) is prop-2-ynyl N-(2-ethylphenyl)carbamate.
What is the SMILES notation for prop-2-ynyl N-(2-ethylphenyl)carbamate?
The canonical SMILES for prop-2-ynyl N-(2-ethylphenyl)carbamate is C#CCOC(=O)Nc1ccccc1CC.
What is the InChIKey of prop-2-ynyl N-(2-ethylphenyl)carbamate?
The InChIKey is ARBPZMOTHNDRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-9-15-12(14)13-11-8-6-5-7-10(11)4-2/h1,5-8H,4,9H2,2H3,(H,13,14).
What are the key properties of prop-2-ynyl N-(2-ethylphenyl)carbamate?
prop-2-ynyl N-(2-ethylphenyl)carbamate has a molecular weight of 203.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-(2-ethylphenyl)carbamate is sourced from PubChem (CID 91733300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).