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

C13H17NO3 — CID 63311174

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccc(CO)c1)C1CCCO1
InChIInChI=1S/C13H17NO3/c15-9-11-4-1-3-10(7-11)8-14-13(16)12-5-2-6-17-12/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,14,16)
InChIKeyMMFBYYFTMOAZJC-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.97
Rot. Bonds4

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

N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 63311174) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
PubChem CID63311174
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccc(CO)c1)C1CCCO1
InChIInChI=1S/C13H17NO3/c15-9-11-4-1-3-10(7-11)8-14-13(16)12-5-2-6-17-12/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,14,16)
InChIKeyMMFBYYFTMOAZJC-UHFFFAOYSA-N
XLogP0.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
N-[[3-(phenylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 46475223
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
CID 110785343
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775473
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide (CID 63311174) is N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide is O=C(NCc1cccc(CO)c1)C1CCCO1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is MMFBYYFTMOAZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-9-11-4-1-3-10(7-11)8-14-13(16)12-5-2-6-17-12/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,14,16).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 0.97, 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]oxolane-2-carboxamide is sourced from PubChem (CID 63311174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).