tert-butyl N-(4-methylphenoxy)carbamate

C12H17NO3 — CID 10104993

IUPACtert-butyl N-(4-methylphenoxy)carbamate
SMILESCc1ccc(ONC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C12H17NO3/c1-9-5-7-10(8-6-9)16-13-11(14)15-12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKeyVPUPDPXMXRACCJ-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.81
Rot. Bonds2

About tert-butyl N-(4-methylphenoxy)carbamate

tert-butyl N-(4-methylphenoxy)carbamate (PubChem CID 10104993) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is tert-butyl N-(4-methylphenoxy)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylphenoxy)carbamate
PubChem CID10104993
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nametert-butyl N-(4-methylphenoxy)carbamate
SMILESCc1ccc(ONC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C12H17NO3/c1-9-5-7-10(8-6-9)16-13-11(14)15-12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKeyVPUPDPXMXRACCJ-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.81
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

[(2-methylpropan-2-yl)oxycarbonylamino] 4-methylbenzoate
CID 88874518
CID 10950859
CID 10950859
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
tert-butyl N-(4-methyl-N-prop-2-ynylanilino)carbamate
CID 11425458
tert-butyl N-[(Z)-[amino-(4-methylphenyl)methylidene]amino]carbamate
CID 50998868
tert-butyl N-[2-[[4-(aminomethyl)phenoxy]amino]-2-oxoethyl]carbamate
CID 139495707
2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 4-methylbenzenesulfonate
CID 165437721
tert-butyl N-[[(2S)-2-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]carbamate
CID 100651422
tert-butyl N-[4-amino-3-[methyl-[(4-methylphenyl)methyl]amino]butan-2-yl]carbamate
CID 102729509
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
tert-butyl N-[methoxy-(4-methylphenyl)methyl]carbamate
CID 42600656
tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylphenoxy)carbamate?
The IUPAC name of tert-butyl N-(4-methylphenoxy)carbamate (CID 10104993) is tert-butyl N-(4-methylphenoxy)carbamate.
What is the SMILES notation for tert-butyl N-(4-methylphenoxy)carbamate?
The canonical SMILES for tert-butyl N-(4-methylphenoxy)carbamate is Cc1ccc(ONC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-(4-methylphenoxy)carbamate?
The InChIKey is VPUPDPXMXRACCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-5-7-10(8-6-9)16-13-11(14)15-12(2,3)4/h5-8H,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(4-methylphenoxy)carbamate?
tert-butyl N-(4-methylphenoxy)carbamate has a molecular weight of 223.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylphenoxy)carbamate is sourced from PubChem (CID 10104993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).