benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate

C20H21NO4 — CID 122369065

IUPACbenzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate
SMILESO=C1CC(CN(Cc2ccccc2)C(=O)OCc2ccccc2)CO1
InChIInChI=1S/C20H21NO4/c22-19-11-18(15-24-19)13-21(12-16-7-3-1-4-8-16)20(23)25-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyVAVXZLYGXNLCHI-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.39
Rot. Bonds6

About benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate

benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate (PubChem CID 122369065) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate
PubChem CID122369065
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namebenzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate
SMILESO=C1CC(CN(Cc2ccccc2)C(=O)OCc2ccccc2)CO1
InChIInChI=1S/C20H21NO4/c22-19-11-18(15-24-19)13-21(12-16-7-3-1-4-8-16)20(23)25-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyVAVXZLYGXNLCHI-UHFFFAOYSA-N
XLogP3.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl-(5-oxooxolan-3-yl)carbamic acid
CID 53414136
methyl (4S)-4-[2-[benzyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxooxolane-3-carboxylate
CID 155937271
4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 138986512
benzyl N-benzyl-N-[(hydroxymethyldisulfanyl)methyl]carbamate
CID 90352441
benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
CID 141155512
ethyl N-benzyl-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]carbamate
CID 99976023
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
4-(dibenzylamino)oxolan-2-one
CID 70144747

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate?
The IUPAC name of benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate (CID 122369065) is benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate?
The canonical SMILES for benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate is O=C1CC(CN(Cc2ccccc2)C(=O)OCc2ccccc2)CO1.
What is the InChIKey of benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate?
The InChIKey is VAVXZLYGXNLCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c22-19-11-18(15-24-19)13-21(12-16-7-3-1-4-8-16)20(23)25-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2.
What are the key properties of benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate?
benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate has a molecular weight of 339.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-[(5-oxooxolan-3-yl)methyl]carbamate is sourced from PubChem (CID 122369065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).