tert-butyl N-methyl-N-(1-phenylethyl)carbamate

C14H21NO2 — CID 20600734

IUPACtert-butyl N-methyl-N-(1-phenylethyl)carbamate
SMILESCC(c1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11(12-9-7-6-8-10-12)15(5)13(16)17-14(2,3)4/h6-11H,1-5H3
InChIKeyCXUDNNBYHDTMIU-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.61
Rot. Bonds2

About tert-butyl N-methyl-N-(1-phenylethyl)carbamate

tert-butyl N-methyl-N-(1-phenylethyl)carbamate (PubChem CID 20600734) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-phenylethyl)carbamate
PubChem CID20600734
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nametert-butyl N-methyl-N-(1-phenylethyl)carbamate
SMILESCC(c1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11(12-9-7-6-8-10-12)15(5)13(16)17-14(2,3)4/h6-11H,1-5H3
InChIKeyCXUDNNBYHDTMIU-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-phenylethyl)carbamate (CID 20600734) is tert-butyl N-methyl-N-(1-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-phenylethyl)carbamate is CC(c1ccccc1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(1-phenylethyl)carbamate?
The InChIKey is CXUDNNBYHDTMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(12-9-7-6-8-10-12)15(5)13(16)17-14(2,3)4/h6-11H,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(1-phenylethyl)carbamate?
tert-butyl N-methyl-N-(1-phenylethyl)carbamate has a molecular weight of 235.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-phenylethyl)carbamate is sourced from PubChem (CID 20600734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).