3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide

C14H19NO3 — CID 91431609

IUPAC3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide
SMILESCC1CC(COCc2ccccc2)OC1C(N)=O
InChIInChI=1S/C14H19NO3/c1-10-7-12(18-13(10)14(15)16)9-17-8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H2,15,16)
InChIKeyYGNXFCPNJCLCLM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.48
Rot. Bonds5

About 3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide

3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide (PubChem CID 91431609) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide
PubChem CID91431609
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide
SMILESCC1CC(COCc2ccccc2)OC1C(N)=O
InChIInChI=1S/C14H19NO3/c1-10-7-12(18-13(10)14(15)16)9-17-8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H2,15,16)
InChIKeyYGNXFCPNJCLCLM-UHFFFAOYSA-N
XLogP1.48
TPSA61.55 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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(phenylmethoxymethyl)oxirane-2-carboxamide
CID 10130485
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate
CID 93493280
[3-methyl-5-(phenylmethoxymethyl)oxolan-2-yl] 4-nitrobenzoate
CID 143964092
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540
(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol
CID 159970118
(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 146358765
(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 101172024

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide?
The IUPAC name of 3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide (CID 91431609) is 3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide.
What is the SMILES notation for 3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide?
The canonical SMILES for 3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide is CC1CC(COCc2ccccc2)OC1C(N)=O.
What is the InChIKey of 3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide?
The InChIKey is YGNXFCPNJCLCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-7-12(18-13(10)14(15)16)9-17-8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H2,15,16).
What are the key properties of 3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide?
3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide is sourced from PubChem (CID 91431609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).