tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate

C14H21NO3 — CID 53432543

IUPACtert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccccc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-10(15-13(16)18-14(2,3)4)11-8-6-7-9-12(11)17-5/h6-10H,1-5H3,(H,15,16)
InChIKeyGXUWQUDCOIALDO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate

tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate (PubChem CID 53432543) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
PubChem CID53432543
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccccc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-10(15-13(16)18-14(2,3)4)11-8-6-7-9-12(11)17-5/h6-10H,1-5H3,(H,15,16)
InChIKeyGXUWQUDCOIALDO-UHFFFAOYSA-N
XLogP3.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate
CID 63790271
tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate
CID 136584911
(2R,3S)-3-hydroxy-3-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7176473
(2S,3S)-2-hydroxy-3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762358
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076
tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
CID 102794759
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
ethyl (2S,3S)-3-hydroxy-3-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102261237

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate (CID 53432543) is tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate is COc1ccccc1C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate?
The InChIKey is GXUWQUDCOIALDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(15-13(16)18-14(2,3)4)11-8-6-7-9-12(11)17-5/h6-10H,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate?
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 53432543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).