N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide

C15H21NO5 — CID 24899855

IUPACN-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)cc1OC[C@@]1(C)COC(C)(C)O1
InChIInChI=1S/C15H21NO5/c1-10(17)16-12-6-5-11(18)7-13(12)19-8-15(4)9-20-14(2,3)21-15/h5-7,18H,8-9H2,1-4H3,(H,16,17)/t15-/m0/s1
InChIKeyYYEWCZMTOWQAML-HNNXBMFYSA-N
MW295.33 g/mol
LogP2.27
Rot. Bonds4

About N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide

N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide (PubChem CID 24899855) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
PubChem CID24899855
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)cc1OC[C@@]1(C)COC(C)(C)O1
InChIInChI=1S/C15H21NO5/c1-10(17)16-12-6-5-11(18)7-13(12)19-8-15(4)9-20-14(2,3)21-15/h5-7,18H,8-9H2,1-4H3,(H,16,17)/t15-/m0/s1
InChIKeyYYEWCZMTOWQAML-HNNXBMFYSA-N
XLogP2.27
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide (CID 24899855) is N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccc(O)cc1OC[C@@]1(C)COC(C)(C)O1.
What is the InChIKey of N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide?
The InChIKey is YYEWCZMTOWQAML-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(17)16-12-6-5-11(18)7-13(12)19-8-15(4)9-20-14(2,3)21-15/h5-7,18H,8-9H2,1-4H3,(H,16,17)/t15-/m0/s1.
What are the key properties of N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide?
N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide has a molecular weight of 295.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-2-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 24899855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).