N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide

C14H19NO2 — CID 123739117

IUPACN-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)C1OCCC1C
InChIInChI=1S/C14H19NO2/c1-10-8-9-17-14(10)13(15-11(2)16)12-6-4-3-5-7-12/h3-7,10,13-14H,8-9H2,1-2H3,(H,15,16)
InChIKeyFTGBQPJULGMTHR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds3

About N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide

N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide (PubChem CID 123739117) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide
PubChem CID123739117
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)C1OCCC1C
InChIInChI=1S/C14H19NO2/c1-10-8-9-17-14(10)13(15-11(2)16)12-6-4-3-5-7-12/h3-7,10,13-14H,8-9H2,1-2H3,(H,15,16)
InChIKeyFTGBQPJULGMTHR-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2-(3-methyloxolan-2-yl)propanoate
CID 166754558
1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115801211
N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide
CID 177291004
[(3-methyloxolan-2-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305599
[(4-cyclopropyloxyphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105341053
(3-methyloxolan-2-yl)-(2-methylphenyl)methanol
CID 114979278
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018242
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887
N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105053721
N-(2-oxo-1-phenylpropyl)cyclopropanecarboxamide
CID 134269746
[(3-methyloxolan-2-yl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326187

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide?
The IUPAC name of N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide (CID 123739117) is N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide is CC(=O)NC(c1ccccc1)C1OCCC1C.
What is the InChIKey of N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide?
The InChIKey is FTGBQPJULGMTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-8-9-17-14(10)13(15-11(2)16)12-6-4-3-5-7-12/h3-7,10,13-14H,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide?
N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 123739117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).