N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide

C15H21NO2 — CID 47071133

IUPACN-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(c2ccccc2C)CCOCC1
InChIInChI=1S/C15H21NO2/c1-12-5-3-4-6-14(12)15(11-16-13(2)17)7-9-18-10-8-15/h3-6H,7-11H2,1-2H3,(H,16,17)
InChIKeyQGOUUJIJWBFHQV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.18
Rot. Bonds3

About N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide (PubChem CID 47071133) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
PubChem CID47071133
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(c2ccccc2C)CCOCC1
InChIInChI=1S/C15H21NO2/c1-12-5-3-4-6-14(12)15(11-16-13(2)17)7-9-18-10-8-15/h3-6H,7-11H2,1-2H3,(H,16,17)
InChIKeyQGOUUJIJWBFHQV-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
CID 110904185
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71869916
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
CID 119749786
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804
(1S)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94626737
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119749819
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide?
The IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide (CID 47071133) is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide?
The canonical SMILES for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide is CC(=O)NCC1(c2ccccc2C)CCOCC1.
What is the InChIKey of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide?
The InChIKey is QGOUUJIJWBFHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-5-3-4-6-14(12)15(11-16-13(2)17)7-9-18-10-8-15/h3-6H,7-11H2,1-2H3,(H,16,17).
What are the key properties of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide?
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide is sourced from PubChem (CID 47071133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).