tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate

C14H22N2O3 — CID 16740562

IUPACtert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cccc(C(N)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-9-12(15)10-6-5-7-11(8-10)18-4/h5-8,12H,9,15H2,1-4H3,(H,16,17)
InChIKeyPCQAWAIMUNCTQZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.22
Rot. Bonds4

About tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate

tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate (PubChem CID 16740562) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate
PubChem CID16740562
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cccc(C(N)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-9-12(15)10-6-5-7-11(8-10)18-4/h5-8,12H,9,15H2,1-4H3,(H,16,17)
InChIKeyPCQAWAIMUNCTQZ-UHFFFAOYSA-N
XLogP2.22
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate (CID 16740562) is tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate is COc1cccc(C(N)CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate?
The InChIKey is PCQAWAIMUNCTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-9-12(15)10-6-5-7-11(8-10)18-4/h5-8,12H,9,15H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate?
tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 16740562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).