N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide

C18H23NO3 — CID 71985002

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
SMILESCc1ccc(C(C)(O)CNC(=O)C(C)(C)c2ccccc2)o1
InChIInChI=1S/C18H23NO3/c1-13-10-11-15(22-13)18(4,21)12-19-16(20)17(2,3)14-8-6-5-7-9-14/h5-11,21H,12H2,1-4H3,(H,19,20)
InChIKeyLCRCAHLWNXCPQI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.89
Rot. Bonds5

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide (PubChem CID 71985002) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
PubChem CID71985002
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
SMILESCc1ccc(C(C)(O)CNC(=O)C(C)(C)c2ccccc2)o1
InChIInChI=1S/C18H23NO3/c1-13-10-11-15(22-13)18(4,21)12-19-16(20)17(2,3)14-8-6-5-7-9-14/h5-11,21H,12H2,1-4H3,(H,19,20)
InChIKeyLCRCAHLWNXCPQI-UHFFFAOYSA-N
XLogP2.89
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
CID 111912236
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methylbut-2-enamide
CID 96567216
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
N-(2-hydroxy-2-methylbutyl)-2-methyl-2-phenylpropanamide
CID 65114444
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
N-[3-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 111520060
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide
CID 111481492
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
CID 111481295

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide (CID 71985002) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide is Cc1ccc(C(C)(O)CNC(=O)C(C)(C)c2ccccc2)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide?
The InChIKey is LCRCAHLWNXCPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13-10-11-15(22-13)18(4,21)12-19-16(20)17(2,3)14-8-6-5-7-9-14/h5-11,21H,12H2,1-4H3,(H,19,20).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 71985002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).