N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide

C15H21NO4 — CID 91918174

IUPACN-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide
SMILESCOc1cc(NC(=O)CC2CCOCC2)cc(OC)c1
InChIInChI=1S/C15H21NO4/c1-18-13-8-12(9-14(10-13)19-2)16-15(17)7-11-3-5-20-6-4-11/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyWIMRJIDNPABABG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide (PubChem CID 91918174) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide
PubChem CID91918174
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide
SMILESCOc1cc(NC(=O)CC2CCOCC2)cc(OC)c1
InChIInChI=1S/C15H21NO4/c1-18-13-8-12(9-14(10-13)19-2)16-15(17)7-11-3-5-20-6-4-11/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyWIMRJIDNPABABG-UHFFFAOYSA-N
XLogP2.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-piperidin-4-ylacetamide
CID 24703765
N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide
CID 75437896
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044
1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622367
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 7772878
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
[3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927767
5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 115273633

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide (CID 91918174) is N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide is COc1cc(NC(=O)CC2CCOCC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is WIMRJIDNPABABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-13-8-12(9-14(10-13)19-2)16-15(17)7-11-3-5-20-6-4-11/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 91918174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).