N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide

C22H27NO3 — CID 47000289

IUPACN-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(CN(Cc2cccc(C)c2)C(=O)C2CCOCC2)cc1
InChIInChI=1S/C22H27NO3/c1-17-4-3-5-19(14-17)16-23(22(24)20-10-12-26-13-11-20)15-18-6-8-21(25-2)9-7-18/h3-9,14,20H,10-13,15-16H2,1-2H3
InChIKeySSRLMTRULOWHAH-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.96
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide

N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide (PubChem CID 47000289) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide
PubChem CID47000289
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(CN(Cc2cccc(C)c2)C(=O)C2CCOCC2)cc1
InChIInChI=1S/C22H27NO3/c1-17-4-3-5-19(14-17)16-23(22(24)20-10-12-26-13-11-20)15-18-6-8-21(25-2)9-7-18/h3-9,14,20H,10-13,15-16H2,1-2H3
InChIKeySSRLMTRULOWHAH-UHFFFAOYSA-N
XLogP3.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
CID 52572788
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 46998798
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
N-[(6-methoxynaphthalen-2-yl)methyl]oxane-4-carboxamide
CID 30307912
N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
CID 74234588
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide
CID 23931480
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide (CID 47000289) is N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide is COc1ccc(CN(Cc2cccc(C)c2)C(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is SSRLMTRULOWHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-17-4-3-5-19(14-17)16-23(22(24)20-10-12-26-13-11-20)15-18-6-8-21(25-2)9-7-18/h3-9,14,20H,10-13,15-16H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 47000289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).