N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide

C13H17NO2 — CID 56765332

IUPACN-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide
SMILESCC(O)(CNC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(16,11-5-3-2-4-6-11)9-14-12(15)10-7-8-10/h2-6,10,16H,7-9H2,1H3,(H,14,15)
InChIKeyASXWMSYDQIZHAG-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.42
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide

N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide (PubChem CID 56765332) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide
PubChem CID56765332
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide
SMILESCC(O)(CNC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(16,11-5-3-2-4-6-11)9-14-12(15)10-7-8-10/h2-6,10,16H,7-9H2,1H3,(H,14,15)
InChIKeyASXWMSYDQIZHAG-UHFFFAOYSA-N
XLogP1.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide (CID 56765332) is N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide is CC(O)(CNC(=O)C1CC1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide?
The InChIKey is ASXWMSYDQIZHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(16,11-5-3-2-4-6-11)9-14-12(15)10-7-8-10/h2-6,10,16H,7-9H2,1H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide?
N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide has a molecular weight of 219.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide is sourced from PubChem (CID 56765332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).