N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide

C13H17NO3 — CID 113264520

IUPACN-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-9-6-7-17-12(9)13(16)14-8-10-2-4-11(15)5-3-10/h2-5,9,12,15H,6-8H2,1H3,(H,14,16)
InChIKeyCDUWAEMSLPXALH-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.43
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide

N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide (PubChem CID 113264520) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide
PubChem CID113264520
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-9-6-7-17-12(9)13(16)14-8-10-2-4-11(15)5-3-10/h2-5,9,12,15H,6-8H2,1H3,(H,14,16)
InChIKeyCDUWAEMSLPXALH-UHFFFAOYSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide (CID 113264520) is N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide?
The InChIKey is CDUWAEMSLPXALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-6-7-17-12(9)13(16)14-8-10-2-4-11(15)5-3-10/h2-5,9,12,15H,6-8H2,1H3,(H,14,16).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide?
N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 113264520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).