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N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide

C21H25NO2 — CID 110280040

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)c1ccc(C(O)CNC(=O)C2CC2c2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-14(2)15-8-10-17(11-9-15)20(23)13-22-21(24)19-12-18(19)16-6-4-3-5-7-16/h3-11,14,18-20,23H,12-13H2,1-2H3,(H,22,24)
InChIKeySKDNPLVBKFLEJX-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.76
Rot. Bonds6

About N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide

N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 110280040) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID110280040
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)c1ccc(C(O)CNC(=O)C2CC2c2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-14(2)15-8-10-17(11-9-15)20(23)13-22-21(24)19-12-18(19)16-6-4-3-5-7-16/h3-11,14,18-20,23H,12-13H2,1-2H3,(H,22,24)
InChIKeySKDNPLVBKFLEJX-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.76
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-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide (CID 110280040) is N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide is CC(C)c1ccc(C(O)CNC(=O)C2CC2c2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is SKDNPLVBKFLEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14(2)15-8-10-17(11-9-15)20(23)13-22-21(24)19-12-18(19)16-6-4-3-5-7-16/h3-11,14,18-20,23H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 110280040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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