methyl N-(1-methoxy-2-phenylethyl)carbamate

C11H15NO3 — CID 11085058

IUPACmethyl N-(1-methoxy-2-phenylethyl)carbamate
SMILESCOC(=O)NC(Cc1ccccc1)OC
InChIInChI=1S/C11H15NO3/c1-14-10(12-11(13)15-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,12,13)
InChIKeyHRRNJTREZHCZPM-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.56
Rot. Bonds4

About methyl N-(1-methoxy-2-phenylethyl)carbamate

methyl N-(1-methoxy-2-phenylethyl)carbamate (PubChem CID 11085058) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl N-(1-methoxy-2-phenylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methoxy-2-phenylethyl)carbamate
PubChem CID11085058
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl N-(1-methoxy-2-phenylethyl)carbamate
SMILESCOC(=O)NC(Cc1ccccc1)OC
InChIInChI=1S/C11H15NO3/c1-14-10(12-11(13)15-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,12,13)
InChIKeyHRRNJTREZHCZPM-UHFFFAOYSA-N
XLogP1.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
(2R)-2-(methoxycarbonylamino)-3-phenylpropanethioic S-acid
CID 149453247
methyl N-[(2S)-4-oxo-1-phenylpentan-2-yl]carbamate
CID 66831258
methyl N-[(2R)-1-(methoxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10682227
methyl N-(6-methyl-5-oxo-1-phenyl-3-sulfanylheptan-2-yl)carbamate
CID 123401423
methyl N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 54537768
methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate
CID 59470684
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
methyl N-[(2S)-1-phenylhex-5-yn-2-yl]carbamate
CID 139471015
methyl N-(4-oxo-1-phenylhex-5-en-2-yl)carbamate
CID 90853214

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methoxy-2-phenylethyl)carbamate?
The IUPAC name of methyl N-(1-methoxy-2-phenylethyl)carbamate (CID 11085058) is methyl N-(1-methoxy-2-phenylethyl)carbamate.
What is the SMILES notation for methyl N-(1-methoxy-2-phenylethyl)carbamate?
The canonical SMILES for methyl N-(1-methoxy-2-phenylethyl)carbamate is COC(=O)NC(Cc1ccccc1)OC.
What is the InChIKey of methyl N-(1-methoxy-2-phenylethyl)carbamate?
The InChIKey is HRRNJTREZHCZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-10(12-11(13)15-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,12,13).
What are the key properties of methyl N-(1-methoxy-2-phenylethyl)carbamate?
methyl N-(1-methoxy-2-phenylethyl)carbamate has a molecular weight of 209.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methoxy-2-phenylethyl)carbamate is sourced from PubChem (CID 11085058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).