N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide

C17H27NO2 — CID 103028890

IUPACN-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide
SMILESCCC(CC)C(NC(=O)C(C)(C)OC)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-6-13(7-2)15(14-11-9-8-10-12-14)18-16(19)17(3,4)20-5/h8-13,15H,6-7H2,1-5H3,(H,18,19)
InChIKeyZOBZFKZQUVSBIF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.71
Rot. Bonds7

About N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide

N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide (PubChem CID 103028890) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide
PubChem CID103028890
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide
SMILESCCC(CC)C(NC(=O)C(C)(C)OC)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-6-13(7-2)15(14-11-9-8-10-12-14)18-16(19)17(3,4)20-5/h8-13,15H,6-7H2,1-5H3,(H,18,19)
InChIKeyZOBZFKZQUVSBIF-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide (CID 103028890) is N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide is CCC(CC)C(NC(=O)C(C)(C)OC)c1ccccc1.
What is the InChIKey of N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide?
The InChIKey is ZOBZFKZQUVSBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-13(7-2)15(14-11-9-8-10-12-14)18-16(19)17(3,4)20-5/h8-13,15H,6-7H2,1-5H3,(H,18,19).
What are the key properties of N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide?
N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-phenylbutyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).