N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide

C21H25NO3 — CID 51092485

IUPACN-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
SMILESCOc1cc(CNC(=O)C2(c3ccccc3)CCOCC2)ccc1C
InChIInChI=1S/C21H25NO3/c1-16-8-9-17(14-19(16)24-2)15-22-20(23)21(10-12-25-13-11-21)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,23)
InChIKeyHQNJDZVIPGEORC-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.37
Rot. Bonds5

About N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide

N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide (PubChem CID 51092485) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
PubChem CID51092485
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
SMILESCOc1cc(CNC(=O)C2(c3ccccc3)CCOCC2)ccc1C
InChIInChI=1S/C21H25NO3/c1-16-8-9-17(14-19(16)24-2)15-22-20(23)21(10-12-25-13-11-21)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,23)
InChIKeyHQNJDZVIPGEORC-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33042340
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 100600748
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 86941870
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-phenyloxane-4-carboxamide
CID 47085199
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998
2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide
CID 128995855
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide
CID 100636290

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide (CID 51092485) is N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide is COc1cc(CNC(=O)C2(c3ccccc3)CCOCC2)ccc1C.
What is the InChIKey of N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide?
The InChIKey is HQNJDZVIPGEORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16-8-9-17(14-19(16)24-2)15-22-20(23)21(10-12-25-13-11-21)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,23).
What are the key properties of N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide?
N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 51092485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).