benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate

C15H21NO3 — CID 110752436

IUPACbenzyl N-methyl-N-(oxan-4-ylmethyl)carbamate
SMILESCN(CC1CCOCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-16(11-13-7-9-18-10-8-13)15(17)19-12-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyURESZUOHXBXLNQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.68
Rot. Bonds4

About benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate

benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate (PubChem CID 110752436) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-(oxan-4-ylmethyl)carbamate
PubChem CID110752436
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl N-methyl-N-(oxan-4-ylmethyl)carbamate
SMILESCN(CC1CCOCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-16(11-13-7-9-18-10-8-13)15(17)19-12-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyURESZUOHXBXLNQ-UHFFFAOYSA-N
XLogP2.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 110752415
benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
CID 96555658
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate
CID 110710538
N-methyl-N-(oxan-4-ylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107030011
benzyl N-[[(3R)-1-(2-chloroacetyl)pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 96553927
N-methyl-N-(oxan-4-ylmethyl)-2,2-diphenylacetamide
CID 110752410
benzyl N-[[(3R)-1-(2-chloroacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 96553929
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate
CID 143016203
tert-butyl (3aS,6aR)-5-[oxan-4-ylmethyl(phenylmethoxycarbonyl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 175980947
benzyl N,N-dimethylcarbamate
CID 12963450

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate?
The IUPAC name of benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate (CID 110752436) is benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate.
What is the SMILES notation for benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate?
The canonical SMILES for benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate is CN(CC1CCOCC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate?
The InChIKey is URESZUOHXBXLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(11-13-7-9-18-10-8-13)15(17)19-12-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3.
What are the key properties of benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate?
benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate is sourced from PubChem (CID 110752436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).