2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide

C18H25NO2 — CID 138030868

IUPAC2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide
SMILESCc1cccc(N(C(=O)CC2CCC2)C2CCOCC2)c1
InChIInChI=1S/C18H25NO2/c1-14-4-2-7-17(12-14)19(16-8-10-21-11-9-16)18(20)13-15-5-3-6-15/h2,4,7,12,15-16H,3,5-6,8-11,13H2,1H3
InChIKeyVNOQHFJZTLPAFH-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.70
Rot. Bonds4

About 2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide

2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide (PubChem CID 138030868) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide
PubChem CID138030868
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide
SMILESCc1cccc(N(C(=O)CC2CCC2)C2CCOCC2)c1
InChIInChI=1S/C18H25NO2/c1-14-4-2-7-17(12-14)19(16-8-10-21-11-9-16)18(20)13-15-5-3-6-15/h2,4,7,12,15-16H,3,5-6,8-11,13H2,1H3
InChIKeyVNOQHFJZTLPAFH-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide
CID 113095232
2-cyclopentyl-N-[(3-methylphenyl)methyl]-N-phenylacetamide
CID 91043678
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
CID 55096319
N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
CID 174812391
N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide
CID 110873037
2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone
CID 113448721
2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796110
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(3-methylphenyl)acetamide
CID 79615458
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368
2-[acetyl(cyclohexyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113159596
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
(2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide
CID 97338191

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide (CID 138030868) is 2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide is Cc1cccc(N(C(=O)CC2CCC2)C2CCOCC2)c1.
What is the InChIKey of 2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide?
The InChIKey is VNOQHFJZTLPAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-4-2-7-17(12-14)19(16-8-10-21-11-9-16)18(20)13-15-5-3-6-15/h2,4,7,12,15-16H,3,5-6,8-11,13H2,1H3.
What are the key properties of 2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide?
2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide has a molecular weight of 287.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(3-methylphenyl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 138030868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).