N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide

C16H23NO3 — CID 71686917

IUPACN-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2(C)CCOCC2)cc1
InChIInChI=1S/C16H23NO3/c1-13-3-5-14(6-4-13)20-11-15(18)17-12-16(2)7-9-19-10-8-16/h3-6H,7-12H2,1-2H3,(H,17,18)
InChIKeyGFDAUSQTUVRTLU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.31
Rot. Bonds5

About N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide

N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 71686917) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide
PubChem CID71686917
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2(C)CCOCC2)cc1
InChIInChI=1S/C16H23NO3/c1-13-3-5-14(6-4-13)20-11-15(18)17-12-16(2)7-9-19-10-8-16/h3-6H,7-12H2,1-2H3,(H,17,18)
InChIKeyGFDAUSQTUVRTLU-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 91914822
2-(4-methoxyphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956861
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 4694933
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide
CID 65124279
2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide
CID 91920212
2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129397646
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037091
N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 56765194
4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541823
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide (CID 71686917) is N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC2(C)CCOCC2)cc1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is GFDAUSQTUVRTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13-3-5-14(6-4-13)20-11-15(18)17-12-16(2)7-9-19-10-8-16/h3-6H,7-12H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 71686917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).