tert-butyl N-(anilinomethyl)carbamate

C12H18N2O2 — CID 87555144

IUPACtert-butyl N-(anilinomethyl)carbamate
SMILESCC(C)(C)OC(=O)NCNc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-9-13-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
InChIKeyOSNCJVZHEKKLLS-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.58
Rot. Bonds3

About tert-butyl N-(anilinomethyl)carbamate

tert-butyl N-(anilinomethyl)carbamate (PubChem CID 87555144) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is tert-butyl N-(anilinomethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(anilinomethyl)carbamate
PubChem CID87555144
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nametert-butyl N-(anilinomethyl)carbamate
SMILESCC(C)(C)OC(=O)NCNc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-9-13-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
InChIKeyOSNCJVZHEKKLLS-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817
tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide
CID 110916684
CID 174619191
CID 174619191
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
tert-butyl N-(ethylaminomethyl)carbamate
CID 141447583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(anilinomethyl)carbamate?
The IUPAC name of tert-butyl N-(anilinomethyl)carbamate (CID 87555144) is tert-butyl N-(anilinomethyl)carbamate.
What is the SMILES notation for tert-butyl N-(anilinomethyl)carbamate?
The canonical SMILES for tert-butyl N-(anilinomethyl)carbamate is CC(C)(C)OC(=O)NCNc1ccccc1.
What is the InChIKey of tert-butyl N-(anilinomethyl)carbamate?
The InChIKey is OSNCJVZHEKKLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-9-13-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(anilinomethyl)carbamate?
tert-butyl N-(anilinomethyl)carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(anilinomethyl)carbamate is sourced from PubChem (CID 87555144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).