benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate

C15H21NO4 — CID 171756290

IUPACbenzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate
SMILESCC(O)C1COCC1N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-11(17)13-9-19-10-14(13)16(2)15(18)20-8-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3
InChIKeyJTJLOHBDSXAIKW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.65
Rot. Bonds4

About benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate

benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate (PubChem CID 171756290) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate
PubChem CID171756290
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namebenzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate
SMILESCC(O)C1COCC1N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-11(17)13-9-19-10-14(13)16(2)15(18)20-8-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3
InChIKeyJTJLOHBDSXAIKW-UHFFFAOYSA-N
XLogP1.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
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CID 90917833
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 22855125
benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
CID 90426419
(2S)-2-cyclopropyl-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 171702913
2-[[(1R,2R)-2-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]amino]acetic acid
CID 96554081
benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate?
The IUPAC name of benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate (CID 171756290) is benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate is CC(O)C1COCC1N(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate?
The InChIKey is JTJLOHBDSXAIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(17)13-9-19-10-14(13)16(2)15(18)20-8-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3.
What are the key properties of benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate?
benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate has a molecular weight of 279.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(1-hydroxyethyl)oxolan-3-yl]-N-methylcarbamate is sourced from PubChem (CID 171756290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).