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

C21H25NO3 — CID 47071147

IUPACN-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
SMILESCc1ccccc1C1(CNC(=O)COc2ccccc2)CCOCC1
InChIInChI=1S/C21H25NO3/c1-17-7-5-6-10-19(17)21(11-13-24-14-12-21)16-22-20(23)15-25-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,22,23)
InChIKeyQBHDVBWRCSZLAG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.24
Rot. Bonds6

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

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide (PubChem CID 47071147) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
PubChem CID47071147
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
SMILESCc1ccccc1C1(CNC(=O)COc2ccccc2)CCOCC1
InChIInChI=1S/C21H25NO3/c1-17-7-5-6-10-19(17)21(11-13-24-14-12-21)16-22-20(23)15-25-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,22,23)
InChIKeyQBHDVBWRCSZLAG-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]acetamide
CID 47071133
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
CID 119749786
3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide
CID 86833759
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
CID 110904185
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide (CID 47071147) is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide is Cc1ccccc1C1(CNC(=O)COc2ccccc2)CCOCC1.
What is the InChIKey of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide?
The InChIKey is QBHDVBWRCSZLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-17-7-5-6-10-19(17)21(11-13-24-14-12-21)16-22-20(23)15-25-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,22,23).
What are the key properties of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide?
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide has a molecular weight of 339.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 47071147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).