[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate

C14H21NO3 — CID 101353525

IUPAC[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-4-15(5-2)14(17)18-11(3)13(16)12-9-7-6-8-10-12/h6-11,13,16H,4-5H2,1-3H3/t11-,13-/m0/s1
InChIKeyBWEHZLVXMQINKF-AAEUAGOBSA-N
MW251.33 g/mol
LogP2.59
Rot. Bonds5

About [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate

[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate (PubChem CID 101353525) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate
PubChem CID101353525
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-4-15(5-2)14(17)18-11(3)13(16)12-9-7-6-8-10-12/h6-11,13,16H,4-5H2,1-3H3/t11-,13-/m0/s1
InChIKeyBWEHZLVXMQINKF-AAEUAGOBSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate
CID 15856781
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
2-deuterio-N,N-diethyl-3-hydroxy-2-methyl-4-phenylpentanamide
CID 101250349
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
[(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium
CID 7321538
N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide
CID 112795259
ethyl 2-[hydroxy(phenyl)methyl]-4-methylpent-4-enoate
CID 134956272
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate?
The IUPAC name of [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate (CID 101353525) is [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate.
What is the SMILES notation for [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate?
The canonical SMILES for [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate is CCN(CC)C(=O)O[C@@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate?
The InChIKey is BWEHZLVXMQINKF-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-15(5-2)14(17)18-11(3)13(16)12-9-7-6-8-10-12/h6-11,13,16H,4-5H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate?
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate has a molecular weight of 251.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate is sourced from PubChem (CID 101353525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).