N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide

C15H21NO2 — CID 71810719

IUPACN-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide
SMILESCCC(CNC(=O)C1CC1)(OC)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-15(18-2,13-7-5-4-6-8-13)11-16-14(17)12-9-10-12/h4-8,12H,3,9-11H2,1-2H3,(H,16,17)
InChIKeyMGVPUMZNSIERGT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.46
Rot. Bonds6

About N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide

N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide (PubChem CID 71810719) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide
PubChem CID71810719
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide
SMILESCCC(CNC(=O)C1CC1)(OC)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-15(18-2,13-7-5-4-6-8-13)11-16-14(17)12-9-10-12/h4-8,12H,3,9-11H2,1-2H3,(H,16,17)
InChIKeyMGVPUMZNSIERGT-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide (CID 71810719) is N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide is CCC(CNC(=O)C1CC1)(OC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide?
The InChIKey is MGVPUMZNSIERGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(18-2,13-7-5-4-6-8-13)11-16-14(17)12-9-10-12/h4-8,12H,3,9-11H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide?
N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide is sourced from PubChem (CID 71810719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).