2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide

C16H23NO3 — CID 110422651

IUPAC2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CC1CCCCO1
InChIInChI=1S/C16H23NO3/c1-12(2)20-15-9-4-3-8-14(15)17-16(18)11-13-7-5-6-10-19-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H,17,18)
InChIKeyVVLDQTKSPLLHBT-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.37
Rot. Bonds5

About 2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide

2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 110422651) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID110422651
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CC1CCCCO1
InChIInChI=1S/C16H23NO3/c1-12(2)20-15-9-4-3-8-14(15)17-16(18)11-13-7-5-6-10-19-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H,17,18)
InChIKeyVVLDQTKSPLLHBT-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109016102
2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone
CID 113391238
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
N-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828739
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459
N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 114304745
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
1-N-(oxolan-2-ylmethyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973334
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
CID 112998973

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide (CID 110422651) is 2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)CC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is VVLDQTKSPLLHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)20-15-9-4-3-8-14(15)17-16(18)11-13-7-5-6-10-19-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide?
2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 277.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 110422651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).