N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide

C14H19NO3 — CID 79759928

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C14H19NO3/c1-10-13(5-6-18-10)14(17)15-8-11-3-2-4-12(7-11)9-16/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,15,17)
InChIKeySBYVMAMQPMCQMN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.22
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide

N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide (PubChem CID 79759928) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
PubChem CID79759928
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C14H19NO3/c1-10-13(5-6-18-10)14(17)15-8-11-3-2-4-12(7-11)9-16/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,15,17)
InChIKeySBYVMAMQPMCQMN-UHFFFAOYSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759466
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
CID 113347521
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174
3-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid
CID 79750692
N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide
CID 114105082
5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099650
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775473
(2S)-2-[(2-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 79750162
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
(2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide
CID 129479570

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide (CID 79759928) is N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCc1cccc(CO)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide?
The InChIKey is SBYVMAMQPMCQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-13(5-6-18-10)14(17)15-8-11-3-2-4-12(7-11)9-16/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,15,17).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79759928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).