tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate

C15H21NO3 — CID 134944635

IUPACtert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate
SMILESC=C[C@H](c1ccccc1)N(OC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-6-13(12-10-8-7-9-11-12)16(18-5)14(17)19-15(2,3)4/h6-11,13H,1H2,2-5H3/t13-/m1/s1
InChIKeyJPHQFYDBMZOIGY-CYBMUJFWSA-N
MW263.34 g/mol
LogP3.71
Rot. Bonds4

About tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate

tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate (PubChem CID 134944635) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate
PubChem CID134944635
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate
SMILESC=C[C@H](c1ccccc1)N(OC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-6-13(12-10-8-7-9-11-12)16(18-5)14(17)19-15(2,3)4/h6-11,13H,1H2,2-5H3/t13-/m1/s1
InChIKeyJPHQFYDBMZOIGY-CYBMUJFWSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Encyprate
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3-(Dimethylamino)butyl benzyl(methyl)carbamate
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N-benzyl(tert-butoxy)carbohydrazide
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tert-butyl N-[(1R)-2-cyano-1-phenylethyl]carbamate
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tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 15675183
tert-butyl N-(2-amino-1-phenylethyl)carbamate
CID 16740609
(1-Hydroxyaminomethyl-2-phenylethyl)carbamic acid tert-butyl ester
CID 16099872
tert-butyl N-benzyl-N-{2-[methoxy(methyl)carbamoyl]ethyl}carbamate
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3-(Dimethylamino)-3-phenylpropyl dimethylcarbamate
CID 44570103

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate (CID 134944635) is tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate is C=C[C@H](c1ccccc1)N(OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate?
The InChIKey is JPHQFYDBMZOIGY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-6-13(12-10-8-7-9-11-12)16(18-5)14(17)19-15(2,3)4/h6-11,13H,1H2,2-5H3/t13-/m1/s1.
What are the key properties of tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate?
tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methoxy-N-[(1R)-1-phenylprop-2-enyl]carbamate is sourced from PubChem (CID 134944635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).