N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide

C17H19NO3 — CID 111112177

IUPACN-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide
SMILESO=C(NCC(O)c1ccc2ccccc2c1)C1CCCO1
InChIInChI=1S/C17H19NO3/c19-15(11-18-17(20)16-6-3-9-21-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15-16,19H,3,6,9,11H2,(H,18,20)
InChIKeyGEKSFPHDORXIPD-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.17
Rot. Bonds4

About N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide

N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide (PubChem CID 111112177) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide
PubChem CID111112177
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide
SMILESO=C(NCC(O)c1ccc2ccccc2c1)C1CCCO1
InChIInChI=1S/C17H19NO3/c19-15(11-18-17(20)16-6-3-9-21-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15-16,19H,3,6,9,11H2,(H,18,20)
InChIKeyGEKSFPHDORXIPD-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
CID 111112227
(2S,5R)-5-(aminomethyl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 120786041
N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide
CID 62214928
N-[2-(furan-2-yl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 110889373
(2S)-1-acetyl-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
CID 97227605
(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide
CID 120922049
2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid
CID 120543519
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
(2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide
CID 100849813
2-(dimethylamino)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methylbutanamide
CID 111112176
N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide
CID 110362967
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708309

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide (CID 111112177) is N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide is O=C(NCC(O)c1ccc2ccccc2c1)C1CCCO1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide?
The InChIKey is GEKSFPHDORXIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-15(11-18-17(20)16-6-3-9-21-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15-16,19H,3,6,9,11H2,(H,18,20).
What are the key properties of N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide?
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 111112177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).