tert-butyl N-(2-phenoxyethyl)carbamate

C13H19NO3 — CID 63789556

IUPACtert-butyl N-(2-phenoxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(15)14-9-10-16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyIHRSZMNSNWYMCI-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.59
Rot. Bonds4

About tert-butyl N-(2-phenoxyethyl)carbamate

tert-butyl N-(2-phenoxyethyl)carbamate (PubChem CID 63789556) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-(2-phenoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-phenoxyethyl)carbamate
PubChem CID63789556
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-(2-phenoxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(15)14-9-10-16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyIHRSZMNSNWYMCI-UHFFFAOYSA-N
XLogP2.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fenoxycarb
CID 51605
Mephenoxalone
CID 6257
Phenyl Methylcarbamate
CID 16034
Methyl(2-phenoxyethyl)amine
CID 37732
ethyl N-[2-(4-hydroxyphenoxy)ethyl]carbamate
CID 14552586
N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 80619
Ethyl-[2-[p-(p-hydroxyphenoxy)phenoxy]ethyl]-carbamate
CID 129829018
N-(3-phenoxypropyl)propanamide
CID 1581116
N-(3-phenoxypropyl)acetamide
CID 9549746
5-((4-Methoxyphenoxy)methyl)-2-oxazolidinone
CID 650874
N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 4207624
N-Methyl-4-ethoxyphenylcarbamate
CID 10081362

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-phenoxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-phenoxyethyl)carbamate (CID 63789556) is tert-butyl N-(2-phenoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-phenoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-phenoxyethyl)carbamate is CC(C)(C)OC(=O)NCCOc1ccccc1.
What is the InChIKey of tert-butyl N-(2-phenoxyethyl)carbamate?
The InChIKey is IHRSZMNSNWYMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-12(15)14-9-10-16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2-phenoxyethyl)carbamate?
tert-butyl N-(2-phenoxyethyl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenoxyethyl)carbamate is sourced from PubChem (CID 63789556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).