ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate

C13H19NO3 — CID 19753336

IUPACethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CCC(O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-17-13(16)14(2)10-9-12(15)11-7-5-4-6-8-11/h4-8,12,15H,3,9-10H2,1-2H3
InChIKeyOLNVXUOJZTUUFK-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.20
Rot. Bonds5

About ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate

ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate (PubChem CID 19753336) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
PubChem CID19753336
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CCC(O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-17-13(16)14(2)10-9-12(15)11-7-5-4-6-8-11/h4-8,12,15H,3,9-10H2,1-2H3
InChIKeyOLNVXUOJZTUUFK-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
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3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
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ethyl 2-hydroxy-2-phenylacetate
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3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
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3-(5-acetyl-2-ethoxyphenyl)-1-[(3S)-3-hydroxy-3-phenylpropyl]-1-methylurea
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ethyl 2-amino-2-phenylacetate chloride
CID 3083657
N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
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3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate?
The IUPAC name of ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate (CID 19753336) is ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate is CCOC(=O)N(C)CCC(O)c1ccccc1.
What is the InChIKey of ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate?
The InChIKey is OLNVXUOJZTUUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-17-13(16)14(2)10-9-12(15)11-7-5-4-6-8-11/h4-8,12,15H,3,9-10H2,1-2H3.
What are the key properties of ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate?
ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate is sourced from PubChem (CID 19753336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).