tert-butyl N-phenylmethoxycarbamate

C12H17NO3 — CID 736159

IUPACtert-butyl N-phenylmethoxycarbamate
SMILESCC(C)(C)OC(=O)NOCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyMZNBNPWFHGWAGH-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.64
Rot. Bonds3

About tert-butyl N-phenylmethoxycarbamate

tert-butyl N-phenylmethoxycarbamate (PubChem CID 736159) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is tert-butyl N-phenylmethoxycarbamate.

Molecular Properties

Compound Nametert-butyl N-phenylmethoxycarbamate
PubChem CID736159
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nametert-butyl N-phenylmethoxycarbamate
SMILESCC(C)(C)OC(=O)NOCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyMZNBNPWFHGWAGH-UHFFFAOYSA-N
XLogP2.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Hydroxyphenamate
CID 5752
Carfimate
CID 19111
Benzyl hydroxycarbamate
CID 18907
Benzyloxyurea
CID 231398
Benzyl carbamate
CID 12136
benzyl N-methylcarbamate
CID 562265
benzyl N-aminooxysulfonylcarbamate
CID 122187597
Benzyl (benzyloxy)carbamate
CID 13417381
Phenethyl carbamate
CID 233105
(Benzyloxy)(methyl)amine
CID 13417387
benzyl N-sulfamoyloxycarbamate
CID 122187596
Benzeneethanol, beta-ethyl-, 1-carbamate
CID 59898507

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-phenylmethoxycarbamate?
The IUPAC name of tert-butyl N-phenylmethoxycarbamate (CID 736159) is tert-butyl N-phenylmethoxycarbamate.
What is the SMILES notation for tert-butyl N-phenylmethoxycarbamate?
The canonical SMILES for tert-butyl N-phenylmethoxycarbamate is CC(C)(C)OC(=O)NOCc1ccccc1.
What is the InChIKey of tert-butyl N-phenylmethoxycarbamate?
The InChIKey is MZNBNPWFHGWAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-phenylmethoxycarbamate?
tert-butyl N-phenylmethoxycarbamate has a molecular weight of 223.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-phenylmethoxycarbamate is sourced from PubChem (CID 736159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).