N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide

C14H19NO3 — CID 42885956

IUPACN-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1CCCO1
InChIInChI=1S/C14H19NO3/c1-17-10-12-6-3-2-5-11(12)9-15-14(16)13-7-4-8-18-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,15,16)
InChIKeySPIJMCHKTPLRHI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds5

About N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 42885956) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide
PubChem CID42885956
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1CCCO1
InChIInChI=1S/C14H19NO3/c1-17-10-12-6-3-2-5-11(12)9-15-14(16)13-7-4-8-18-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,15,16)
InChIKeySPIJMCHKTPLRHI-UHFFFAOYSA-N
XLogP1.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpropyl)oxolane-2-carboxamide
CID 6467126
N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 2970814
N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 6469041
N-[1-(2,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 6469248
N-(1-phenylethyl)tetrahydro-2-furancarboxamide
CID 2931490
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 3142634
N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 2970818
N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 71193689
alpha-(Acetyloxy)-N-(phenylmethyl)benzeneacetamide
CID 5158023
2-methoxy-N-(2-methylbenzyl)-2-phenylacetamide
CID 2897270
N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 2933005
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 43020166

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide (CID 42885956) is N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide is COCc1ccccc1CNC(=O)C1CCCO1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is SPIJMCHKTPLRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-10-12-6-3-2-5-11(12)9-15-14(16)13-7-4-8-18-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,15,16).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 42885956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).