2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide

C17H25NO3 — CID 166373779

IUPAC2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide
SMILESCc1cc(NC(=O)COCC2CCOCC2)cc(C)c1C
InChIInChI=1S/C17H25NO3/c1-12-8-16(9-13(2)14(12)3)18-17(19)11-21-10-15-4-6-20-7-5-15/h8-9,15H,4-7,10-11H2,1-3H3,(H,18,19)
InChIKeyXJATZZBQJRQJAK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.99
Rot. Bonds5

About 2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide

2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide (PubChem CID 166373779) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide
PubChem CID166373779
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide
SMILESCc1cc(NC(=O)COCC2CCOCC2)cc(C)c1C
InChIInChI=1S/C17H25NO3/c1-12-8-16(9-13(2)14(12)3)18-17(19)11-21-10-15-4-6-20-7-5-15/h8-9,15H,4-7,10-11H2,1-3H3,(H,18,19)
InChIKeyXJATZZBQJRQJAK-UHFFFAOYSA-N
XLogP2.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
CID 95346415
N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide
CID 116846813
N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62384098
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62381831
1-(2,5-dimethylphenyl)-2-(oxan-4-ylmethoxy)ethanone
CID 62382456
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807
N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide
CID 91918174
2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689
N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide
CID 62383127
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
2-(cyclopropylmethoxy)-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 136516820
2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide
CID 118763767

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide?
The IUPAC name of 2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide (CID 166373779) is 2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide?
The canonical SMILES for 2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide is Cc1cc(NC(=O)COCC2CCOCC2)cc(C)c1C.
What is the InChIKey of 2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide?
The InChIKey is XJATZZBQJRQJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-8-16(9-13(2)14(12)3)18-17(19)11-21-10-15-4-6-20-7-5-15/h8-9,15H,4-7,10-11H2,1-3H3,(H,18,19).
What are the key properties of 2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide?
2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide is sourced from PubChem (CID 166373779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).