tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate

C15H24N2O3 — CID 19597309

IUPACtert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate
SMILESCOc1ccccc1CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-10-9-16-11-12-7-5-6-8-13(12)19-4/h5-8,16H,9-11H2,1-4H3,(H,17,18)
InChIKeyYEQITVIIBOYKDE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.31
Rot. Bonds6

About tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate

tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate (PubChem CID 19597309) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate
PubChem CID19597309
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate
SMILESCOc1ccccc1CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-10-9-16-11-12-7-5-6-8-13(12)19-4/h5-8,16H,9-11H2,1-4H3,(H,17,18)
InChIKeyYEQITVIIBOYKDE-UHFFFAOYSA-N
XLogP2.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate (CID 19597309) is tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate is COc1ccccc1CNCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate?
The InChIKey is YEQITVIIBOYKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-10-9-16-11-12-7-5-6-8-13(12)19-4/h5-8,16H,9-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate?
tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methoxyphenyl)methylamino]ethyl]carbamate is sourced from PubChem (CID 19597309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).