N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide

C14H19NO3 — CID 62212827

IUPACN-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)C1CCCCO1
InChIInChI=1S/C14H19NO3/c16-9-8-11-4-6-12(7-5-11)15-14(17)13-3-1-2-10-18-13/h4-7,13,16H,1-3,8-10H2,(H,15,17)
InChIKeyFJIDMPPIKOQQDW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.73
Rot. Bonds4

About N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide

N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide (PubChem CID 62212827) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide
PubChem CID62212827
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)C1CCCCO1
InChIInChI=1S/C14H19NO3/c16-9-8-11-4-6-12(7-5-11)15-14(17)13-3-1-2-10-18-13/h4-7,13,16H,1-3,8-10H2,(H,15,17)
InChIKeyFJIDMPPIKOQQDW-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(oxane-2-carbonylamino)phenyl]propanoic acid
CID 115339436
N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
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N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
CID 106910070
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
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N-[4-(2-amino-2-sulfanylideneethyl)phenyl]oxane-2-carboxamide
CID 62301919
N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide
CID 82260089
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
N-phenyloxolane-2-carboxamide
CID 3453643
N-[4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 82260254
N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide
CID 110353088
3-[4-(oxane-2-carbonylamino)phenyl]prop-2-enoic acid
CID 76937453

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide (CID 62212827) is N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide is O=C(Nc1ccc(CCO)cc1)C1CCCCO1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide?
The InChIKey is FJIDMPPIKOQQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-9-8-11-4-6-12(7-5-11)15-14(17)13-3-1-2-10-18-13/h4-7,13,16H,1-3,8-10H2,(H,15,17).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide is sourced from PubChem (CID 62212827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).