N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide

C17H25NO2 — CID 110858330

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC1CCCOC1
InChIInChI=1S/C17H25NO2/c1-12(2)15-8-4-6-13(3)17(15)18-16(19)10-14-7-5-9-20-11-14/h4,6,8,12,14H,5,7,9-11H2,1-3H3,(H,18,19)
InChIKeyBRUDSTAOZZWIOX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.87
Rot. Bonds4

About N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide (PubChem CID 110858330) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide
PubChem CID110858330
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC1CCCOC1
InChIInChI=1S/C17H25NO2/c1-12(2)15-8-4-6-13(3)17(15)18-16(19)10-14-7-5-9-20-11-14/h4,6,8,12,14H,5,7,9-11H2,1-3H3,(H,18,19)
InChIKeyBRUDSTAOZZWIOX-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
N-(2-methyl-6-propan-2-ylphenyl)-3-morpholin-4-ylpropanamide
CID 47093071
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 11913397
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
CID 112789085
2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 50959258
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
CID 91838347
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 34425742
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide (CID 110858330) is N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CC1CCCOC1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide?
The InChIKey is BRUDSTAOZZWIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)15-8-4-6-13(3)17(15)18-16(19)10-14-7-5-9-20-11-14/h4,6,8,12,14H,5,7,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide has a molecular weight of 275.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 110858330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).