2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide

C17H25NO2 — CID 91918232

IUPAC2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide
SMILESCC(C)(C(=O)NCCc1ccccc1)C1CCOCC1
InChIInChI=1S/C17H25NO2/c1-17(2,15-9-12-20-13-10-15)16(19)18-11-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,18,19)
InChIKeyBEFFRXLHBFAUJT-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.80
Rot. Bonds5

About 2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide

2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide (PubChem CID 91918232) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide
PubChem CID91918232
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide
SMILESCC(C)(C(=O)NCCc1ccccc1)C1CCOCC1
InChIInChI=1S/C17H25NO2/c1-17(2,15-9-12-20-13-10-15)16(19)18-11-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,18,19)
InChIKeyBEFFRXLHBFAUJT-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide (CID 91918232) is 2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide is CC(C)(C(=O)NCCc1ccccc1)C1CCOCC1.
What is the InChIKey of 2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is BEFFRXLHBFAUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,15-9-12-20-13-10-15)16(19)18-11-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide?
2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 275.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 91918232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).