ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate

C12H17NO3 — CID 105059191

IUPACethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
SMILESCCOC(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-3-16-11(15)13-12(2,9-14)10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3,(H,13,15)
InChIKeyUAOWRQZUKKAHJP-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.64
Rot. Bonds4

About ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate

ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate (PubChem CID 105059191) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
PubChem CID105059191
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
SMILESCCOC(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-3-16-11(15)13-12(2,9-14)10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3,(H,13,15)
InChIKeyUAOWRQZUKKAHJP-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059186
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
CID 105057990
2-amino-2-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)butanamide
CID 105058275
ethyl N-[dimethoxy(phenyl)methyl]carbamate
CID 23117021
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
CID 115635344
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238
(E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide
CID 105057886
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-phenylacetamide
CID 105058224

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate?
The IUPAC name of ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate (CID 105059191) is ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate?
The canonical SMILES for ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate is CCOC(=O)NC(C)(CO)c1ccccc1.
What is the InChIKey of ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate?
The InChIKey is UAOWRQZUKKAHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-16-11(15)13-12(2,9-14)10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3,(H,13,15).
What are the key properties of ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate?
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 105059191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).