tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate

C17H27NO3 — CID 70969643

IUPACtert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)COCc1ccccc1
InChIInChI=1S/C17H27NO3/c1-16(2,3)21-15(19)18(6)17(4,5)13-20-12-14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3
InChIKeyMHHXBDFTFYMAQJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.85
Rot. Bonds5

About tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate

tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate (PubChem CID 70969643) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate
PubChem CID70969643
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nametert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)COCc1ccccc1
InChIInChI=1S/C17H27NO3/c1-16(2,3)21-15(19)18(6)17(4,5)13-20-12-14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3
InChIKeyMHHXBDFTFYMAQJ-UHFFFAOYSA-N
XLogP3.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate (CID 70969643) is tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate is CN(C(=O)OC(C)(C)C)C(C)(C)COCc1ccccc1.
What is the InChIKey of tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate?
The InChIKey is MHHXBDFTFYMAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-16(2,3)21-15(19)18(6)17(4,5)13-20-12-14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate?
tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate is sourced from PubChem (CID 70969643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).