tert-butyl N-benzyl-N-(2-oxoethyl)carbamate

C14H19NO3 — CID 10868680

IUPACtert-butyl N-benzyl-N-(2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC=O)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15(9-10-16)11-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3
InChIKeyRXJOEKWQWAKFSV-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.62
Rot. Bonds4

About tert-butyl N-benzyl-N-(2-oxoethyl)carbamate

tert-butyl N-benzyl-N-(2-oxoethyl)carbamate (PubChem CID 10868680) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(2-oxoethyl)carbamate
PubChem CID10868680
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl N-benzyl-N-(2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC=O)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15(9-10-16)11-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3
InChIKeyRXJOEKWQWAKFSV-UHFFFAOYSA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(2-oxoethyl)carbamate (CID 10868680) is tert-butyl N-benzyl-N-(2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(2-oxoethyl)carbamate is CC(C)(C)OC(=O)N(CC=O)Cc1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-(2-oxoethyl)carbamate?
The InChIKey is RXJOEKWQWAKFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15(9-10-16)11-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-(2-oxoethyl)carbamate?
tert-butyl N-benzyl-N-(2-oxoethyl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 10868680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).