tert-butyl N-(4-methylanilino)carbamate

C12H18N2O2 — CID 20661954

IUPACtert-butyl N-(4-methylanilino)carbamate
SMILESCc1ccc(NNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-9-5-7-10(8-6-9)13-14-11(15)16-12(2,3)4/h5-8,13H,1-4H3,(H,14,15)
InChIKeyWYTMMRLNLCEKGQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.85
Rot. Bonds2

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

tert-butyl N-(4-methylanilino)carbamate (PubChem CID 20661954) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is tert-butyl N-(4-methylanilino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylanilino)carbamate
PubChem CID20661954
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nametert-butyl N-(4-methylanilino)carbamate
SMILESCc1ccc(NNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-9-5-7-10(8-6-9)13-14-11(15)16-12(2,3)4/h5-8,13H,1-4H3,(H,14,15)
InChIKeyWYTMMRLNLCEKGQ-UHFFFAOYSA-N
XLogP2.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylanilino)carbamate?
The IUPAC name of tert-butyl N-(4-methylanilino)carbamate (CID 20661954) is tert-butyl N-(4-methylanilino)carbamate.
What is the SMILES notation for tert-butyl N-(4-methylanilino)carbamate?
The canonical SMILES for tert-butyl N-(4-methylanilino)carbamate is Cc1ccc(NNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-(4-methylanilino)carbamate?
The InChIKey is WYTMMRLNLCEKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-7-10(8-6-9)13-14-11(15)16-12(2,3)4/h5-8,13H,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(4-methylanilino)carbamate?
tert-butyl N-(4-methylanilino)carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylanilino)carbamate is sourced from PubChem (CID 20661954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).