ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate

C12H17NO3 — CID 7315555

IUPACethyl N-[(R)-ethoxy(phenyl)methyl]carbamate
SMILESCCOC(=O)N[C@H](OCC)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-3-15-11(13-12(14)16-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,13,14)/t11-/m1/s1
InChIKeyLJNNZSRYFSUNMJ-LLVKDONJSA-N
MW223.27 g/mol
LogP2.47
Rot. Bonds5

About ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate

ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate (PubChem CID 7315555) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(R)-ethoxy(phenyl)methyl]carbamate
PubChem CID7315555
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl N-[(R)-ethoxy(phenyl)methyl]carbamate
SMILESCCOC(=O)N[C@H](OCC)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-3-15-11(13-12(14)16-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,13,14)/t11-/m1/s1
InChIKeyLJNNZSRYFSUNMJ-LLVKDONJSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.47
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

ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
ethyl N-[cyano(phenyl)methyl]carbamate
CID 60763548
[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate
CID 102239022
ethoxycarbonyl (2S)-2-(ethoxycarbonylamino)-2-phenylacetate
CID 102234074
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498
2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid
CID 12508749
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
[(2S)-3-methylbutan-2-yl] 2-(ethoxycarbonylamino)-2-phenylacetate
CID 91750971
N-[ethoxy(phenyl)methyl]formamide
CID 24975232

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate?
The IUPAC name of ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate (CID 7315555) is ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate?
The canonical SMILES for ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate is CCOC(=O)N[C@H](OCC)c1ccccc1.
What is the InChIKey of ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate?
The InChIKey is LJNNZSRYFSUNMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-15-11(13-12(14)16-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,13,14)/t11-/m1/s1.
What are the key properties of ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate?
ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate has a molecular weight of 223.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate is sourced from PubChem (CID 7315555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).