N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide

C16H23NO3 — CID 52572788

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)C1CCOCC1
InChIInChI=1S/C16H23NO3/c1-3-17(16(18)14-8-10-20-11-9-14)12-13-4-6-15(19-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3
InChIKeyIWHDMCZLNLJVDO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds5

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

N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide (PubChem CID 52572788) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
PubChem CID52572788
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)C1CCOCC1
InChIInChI=1S/C16H23NO3/c1-3-17(16(18)14-8-10-20-11-9-14)12-13-4-6-15(19-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3
InChIKeyIWHDMCZLNLJVDO-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 47000289
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737170
N-ethyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60738708
1-benzylsulfonyl-N-ethyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55690537
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737162
2-(cyclopropylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 54872668
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55594107
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7279394
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide (CID 52572788) is N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)C1CCOCC1.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide?
The InChIKey is IWHDMCZLNLJVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-17(16(18)14-8-10-20-11-9-14)12-13-4-6-15(19-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide?
N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 52572788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).