N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide

C14H19NO3 — CID 79759025

IUPACN-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
SMILESCC(O)c1ccc(NC(=O)C2CCOC2C)cc1
InChIInChI=1S/C14H19NO3/c1-9(16)11-3-5-12(6-4-11)15-14(17)13-7-8-18-10(13)2/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyCMNWWFJZNPDGNB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds3

About N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide

N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide (PubChem CID 79759025) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
PubChem CID79759025
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
SMILESCC(O)c1ccc(NC(=O)C2CCOC2C)cc1
InChIInChI=1S/C14H19NO3/c1-9(16)11-3-5-12(6-4-11)15-14(17)13-7-8-18-10(13)2/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyCMNWWFJZNPDGNB-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 43508348
N-(4-carbamothioylphenyl)-2-methyloxolane-3-carboxamide
CID 79760045
N-[2-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79757811
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79763807
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79755355
N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759466
2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride
CID 79759048
N-[2-(bromomethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 114309567
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427
2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide
CID 79759186
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide (CID 79759025) is N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide is CC(O)c1ccc(NC(=O)C2CCOC2C)cc1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide?
The InChIKey is CMNWWFJZNPDGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(16)11-3-5-12(6-4-11)15-14(17)13-7-8-18-10(13)2/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide?
N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79759025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).